SCHEMBL17725820

SCHEMBL17725820

CCn1c(SCC(=O)Nc2nnc(-c3ccc(SC)cc3)s2)nnc1-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ ALDH1A1 P00352 8/20 0.56
▸ LMNA P02545 5/20 0.54
▸ HTT P42858 2/20 0.54
▸ TP53 P04637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ USP2 O75604 3/20 0.52
▸ RECQL P46063 1/20 0.52
▸ NOD2 Q9HC29 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ KMT2A Q03164 2/20 0.51
▸ GLA P06280 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MEN1 O00255 1/20 0.51

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
SCHEMBL19549109 0.94 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL19566995 0.92 LMNA (0.62) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL19549110 0.92 LMNA (0.62) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL17713895 0.91 LMNA (0.63) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL19549122 0.90 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL19549075 0.90 ALDH1A1 (0.66) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL23333900 0.90 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL19549115 0.88 ALDH1A1 (0.58) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL19549089 0.88 MAPT (0.66) TSHRSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL19549069 0.88 MAPT (0.66) TSHRSMN1; SMN2ALDH1A1LMNAHTT

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 8 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
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

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

For each of this compound's patents that has machine-readable text (2 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-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 TSHR 2782/4885SMN1; SMN2 4525/4885ALDH1A1 1327/4885
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 TSHR 2782/4885SMN1; SMN2 4525/4885ALDH1A1 1327/4885

“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.

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