SCHEMBL3138332

SCHEMBL3138332

C#Cc1ccc(NC(=O)NC(CCS(C)(=O)=O)C(=O)Nc2ccc(-n3ccccc3=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 3/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL5109028 0.91 F10 (0.45) F10CYP2C9
SCHEMBL1406097 0.88 F10 (0.55) F10ALDH1A1TSHR
SCHEMBL1405846 0.88 F10 (0.55) F10ALDH1A1TSHR
SCHEMBL14078392 0.86 F10 (0.47) F10GAACYP2C9
SCHEMBL1405985 0.78 F10 (0.54) F10
SCHEMBL1406028 0.78 F10 (0.54) F10
SCHEMBL14078385 0.78 FPR2 (0.53) ALDH1A1KMT2ACYP2C9
SCHEMBL5440571 0.78 F10 (0.60) F10
SCHEMBL5440576 0.78 F10 (0.60) F10
SCHEMBL1405889 0.74 F10 (0.52) F10ALDH1A1TSHRKMT2ASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597244-B1 ETHYNYL DERIVATIVES SERVING AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2010-07-07 EP disclosed
US-7427618-B2 Ethynyl derivatives as factor Xa inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-23 US disclosed
US-7427618-B2 Ethynyl derivatives as factor Xa inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-23 US disclosed
US-7427618-B2 Ethynyl derivatives as factor Xa inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-23 US disclosed
US-20060084648-A1 Ethynyl derivatives as factor xa inhibitors MERCK PATENT GMBH (DE) 2006-04-20 US disclosed
EP-1597244-A1 ETHYNYL DERIVATIVES SERVING AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2005-11-23 EP disclosed
WO-2004076429-A1 ETHYNYL DERIVATIVES SERVING AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2004-09-10 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 (1 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-20060084648-A1 Ethynyl derivatives as factor xa inhibitors F12, F11, SERPINC1 F10 4/4885ALDH1A1 1869/4885TSHR 449/4885

“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.