SCHEMBL1543958

SCHEMBL1543958

CCn1c(S)nnc1-c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALPG P10696 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GRIK2 Q13002 2/20 0.44
GRIK1 P39086 1/20 0.44
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
OXTR P30559 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11511994 0.88 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1
SCHEMBL1544340 0.83 CYP2D6 (0.47) ALDH1A1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL1544438 0.83 MEN1 (0.47) ALDH1A1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL19578880 0.82 TSHR (0.46) ALDH1A1CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL1104386 0.81 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRCYP1A2CYP2D6
SCHEMBL4206866 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRSMN1; SMN2NPC1
SCHEMBL1543969 0.80 APOBEC3G (0.50) ALDH1A1TSHRALPGLMNAKMT2A
SCHEMBL2984905 0.80 KDM4E (0.49) ALDH1A1CYP3A4TSHRCYP1A2CYP2C9
SCHEMBL1543961 0.80 TSHR (0.50) ALDH1A1CYP3A4TSHRCYP1A2CYP2C19
SCHEMBL2988338 0.80 TSHR (0.56) ALDH1A1CYP3A4TSHRCYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212644-B1 DERIVATIVES OF 2-(1,2,4-TRIAZOL-3-YLSULFANYL)-N-1,3,4-THIADIAZOL-2-YL ACETAMIDE WHICH ARE USEFUL FOR THE TREATMENT OF DIABETES APOGLYX AB (SE) 2021-05-05 EP disclosed
CN-107001351-B Derivatives of 2- (1,2, 4-triazol-3-ylsulfanyl) -N-1,3, 4-thiadiazol-2-ylacetamide useful in the treatment of, in particular, diabetes 阿波格吕克斯有限公司 2020-06-05 CN disclosed
US-10011597-B2 Derivatives of 2-(1,2,4-triazol-3-ylsulfanyl)-N-1,3,4-thiadiazol-2-yl acetamide which are useful for the treatment of inter alia diabetes APOGLYX AB (SE) 2018-07-03 US disclosed
US-10011597-B2 Derivatives of 2-(1,2,4-triazol-3-ylsulfanyl)-N-1,3,4-thiadiazol-2-yl acetamide which are useful for the treatment of inter alia diabetes APOGLYX AB (SE) 2018-07-03 US disclosed
US-20170320869-A1 DERIVATIVES OF 2-(1,2,4-TRIAZOL-3-YLSULFANYL)-N-1,3,4-THIADIAZOL-2-YL ACETAMIDE WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA DIABETES APOGLYX AB (SE) 2017-11-09 US disclosed
US-20170320869-A1 DERIVATIVES OF 2-(1,2,4-TRIAZOL-3-YLSULFANYL)-N-1,3,4-THIADIAZOL-2-YL ACETAMIDE WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA DIABETES APOGLYX AB (SE) 2017-11-09 US disclosed
CN-107001351-A Derivative available for the treatment particularly yl acetamide of 2 (the base sulfanyl of 1,2,4 triazole 3) 1,3,4 thiadiazoles of N 2 of diabetes 阿波格吕克斯有限公司 2017-08-01 CN disclosed
EP-2311830-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-1723144-B1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-10-06 EP disclosed
US-7585881-B2 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2009-09-08 US disclosed
US-7456200-B2 Compounds ASTRAZENECA AB (SE) 2008-11-25 US disclosed
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2007-12-20 US disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 US disclosed
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain ASTRAZENECA AB (SE) 2006-06-08 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040152699-A1 Compounds SDHA, CYP11B2, CYP11B1 ALDH1A1 185/4885CYP3A4 41/4885TSHR 4088/4885
US-20080015234-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 ALDH1A1 3875/4885CYP3A4 4080/4885TSHR 895/4885
US-20060122397-A1 Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain GRM5, GRIK5, GRM1 ALDH1A1 2602/4885CYP3A4 3566/4885TSHR 769/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 ALDH1A1 4066/4885CYP3A4 4116/4885TSHR 847/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 ALDH1A1 3875/4885CYP3A4 4080/4885TSHR 895/4885
US-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 ALDH1A1 3875/4885CYP3A4 4080/4885TSHR 895/4885
US-20170320869-A1 DERIVATIVES OF 2-(1,2,4-TRIAZOL-3-YLSULFANYL)-N-1,3,4-THIADIAZOL-2-YL ACETAMIDE WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA DIABETES AQP1, AQP3, AQP4 ALDH1A1 1327/4885CYP3A4 4009/4885TSHR 2782/4885
US-20070293545-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 ALDH1A1 3875/4885CYP3A4 4080/4885TSHR 895/4885
US-20080015204-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 ALDH1A1 3875/4885CYP3A4 4080/4885TSHR 895/4885
US-10011597-B2 Derivatives of 2-(1,2,4-triazol-3-ylsulfanyl)-N-1,3,4-thiadiazol-2-yl acetamide which are useful for the treatment of inter alia diabetes AQP1, AQP3, AQP4 ALDH1A1 1327/4885CYP3A4 4009/4885TSHR 2782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.