SCHEMBL1543980

SCHEMBL1543980

CCn1c(S)nnc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
POLB P06746 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
TSHR P16473 4/20 0.52
CYP1A2 P05177 3/20 0.49
CYP2C9 P11712 3/20 0.49
MEN1 O00255 2/20 0.49
CYP2C19 P33261 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.44
PGR P06401 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RECQL P46063 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4204105 0.86 TSHR (0.54) ALDH1A1POLBAPOBEC3GTSHRCYP1A2
SCHEMBL1545238 0.86 MEN1 (0.50) ALDH1A1TSHRCYP1A2CYP2C9MEN1
SCHEMBL10011738 0.84 MEN1 (0.43) ALDH1A1POLBAPOBEC3GTSHRCYP1A2
SCHEMBL1544063 0.84 CYP1A2 (0.44) ALDH1A1POLBAPOBEC3GTSHRCYP1A2
SCHEMBL1104417 0.82 ALDH1A1 (0.56) ALDH1A1TSHRCYP1A2CYP2C9MEN1
SCHEMBL1544412 0.82 KMT2A (0.46) ALDH1A1TSHRCYP1A2CYP2C9MEN1
SCHEMBL4208984 0.81 TSHR (0.59) ALDH1A1POLBAPOBEC3GTSHRCYP1A2
SCHEMBL1543969 0.81 APOBEC3G (0.50) ALDH1A1POLBAPOBEC3GTSHRKMT2A
SCHEMBL2988338 0.80 TSHR (0.56) ALDH1A1POLBTSHRCYP1A2CYP2C9
SCHEMBL1544701 0.80 HSD11B1 (0.51) ALDH1A1POLBAPOBEC3GCYP1A2CYP2C9

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 30 patents — showing the first 20. 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
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-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
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
WO-2016066696-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) 2016-05-06 WO disclosed
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-02 US disclosed
CN-1984907-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-06-20 CN disclosed
CN-1894241-A \"1, 2, 4\" oxadiazoles as modulators of metabotropic glutamate receptor-5 ASTRAZENECA AB (SE) 2007-01-10 CN 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-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides SMITHKLINE BEECHAM PLC 2005-12-29 US disclosed
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2005-12-08 US disclosed
EP-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
US-20040152699-A1 Compounds ASTRAZENECA AND NPS PHARMACEUTICALS, INC. 2004-08-05 US disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO disclosed
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-05 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 (8 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 185/4885POLB 2846/4885APOBEC3G 4360/4885
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 2602/4885POLB 4605/4885APOBEC3G 4705/4885
US-20070179188-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 ALDH1A1 4066/4885POLB 4538/4885APOBEC3G 4767/4885
US-20050272779-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRIK5, GRM2 ALDH1A1 3875/4885POLB 4535/4885APOBEC3G 4759/4885
US-20050288376-A1 Bicyclyl or heterobicyclylmethanesulfonylanimo-substituted N-hydroxyformamides CD22, CD2, NEU3 ALDH1A1 945/4885POLB 3841/4885APOBEC3G 1345/4885
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 1327/4885POLB 4827/4885APOBEC3G 4196/4885
US-20040024066-A1 Bicyclyl or heterobicyclylmethanesulfonylamino-substituted n-hydroxyformamides CD22, CD2, NEU3 ALDH1A1 356/4885POLB 3832/4885APOBEC3G 1606/4885
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 1327/4885POLB 4827/4885APOBEC3G 4196/4885

“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.