SCHEMBL17725779

SCHEMBL17725779

CCn1c(SCC(=O)Nc2nnc(-c3ccc(S(C)(=N)=O)cc3)s2)nnc1-c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.62
▸ TP53 P04637 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.57
▸ LMNA P02545 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ TSHR P16473 1/20 0.54

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
SCHEMBL17725671 0.93 ALDH1A1 (0.64) ALDH1A1TP53L3MBTL1KMT2AMEN1
SCHEMBL17725705 0.90 ALDH1A1 (0.60) ALDH1A1TP53L3MBTL1KMT2AMEN1
SCHEMBL17725703 0.90 ALDH1A1 (0.58) ALDH1A1TP53L3MBTL1KMT2AMEN1
SCHEMBL17725695 0.89 ALDH1A1 (0.57) ALDH1A1TP53L3MBTL1KMT2AMEN1
SCHEMBL19566999 0.89 ALDH1A1 (0.65) ALDH1A1TP53KMT2AMEN1HSD17B10
SCHEMBL19549075 0.87 ALDH1A1 (0.66) ALDH1A1TP53KMT2AMEN1HSD17B10
SCHEMBL19549088 0.85 KMT2A (0.66) ALDH1A1TP53KMT2AMEN1HSD17B10
SCHEMBL17725590 0.84 ALDH1A1 (0.64) ALDH1A1TP53L3MBTL1KMT2ALMNA
SCHEMBL17725778 0.84 LMNA (0.73) ALDH1A1TP53L3MBTL1KMT2AHSD17B10
SCHEMBL19567003 0.84 LMNA (0.67) ALDH1A1TP53L3MBTL1KMT2AMEN1

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 6 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-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 ALDH1A1 1327/4885TP53 3220/4885L3MBTL1 4344/4885
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 1327/4885TP53 3220/4885L3MBTL1 4344/4885

“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.

Send feedback