SCHEMBL6164811

SCHEMBL6164811

Cc1ccc(S(N)(=O)=O)c(-c2cc[c]cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
PTGS1 P23219 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CA2 P00918 9/20 0.39
CA1 P00915 8/20 0.39
CA9 Q16790 7/20 0.39
CA12 O43570 6/20 0.39
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 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
SCHEMBL4734280 0.86 PTGS2 (0.53) PTGS2PTGS1KDM4EALDH1A1CA2
SCHEMBL29588197 0.83 HDAC7 (0.45) PTGS2PTGS1KDM4EALDH1A1CA2
SCHEMBL8597605 0.83 HDAC7 (0.45) PTGS2PTGS1KDM4EALDH1A1CA2
SCHEMBL28182008 0.81 HDAC7 (0.44) PTGS2PTGS1KDM4EALDH1A1CA2
Hydrochloric Acid SCHEMBL5795789 0.79 PTGS2 (0.50) PTGS2PTGS1MAOA
SCHEMBL6165621 0.76 CA12 (0.50) PTGS2PTGS1ALDH1A1CA2CA1
SCHEMBL31085516 0.76 HSD17B1 (0.45) PTGS2PTGS1ALDH1A1CA2CA1
SCHEMBL208435 0.75 CA1 (0.45) PTGS2PTGS1CA2CA1CA9
SCHEMBL28383628 0.74 CNR1 (0.48) PTGS2PTGS1ALDH1A1CA2CA1
SCHEMBL28877972 0.73 PTGS2 (0.47) PTGS2PTGS1KDM4EALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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 (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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI PTGS2 1847/4885PTGS1 1222/4885KDM4E 2473/4885

“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.