SCHEMBL6165621

SCHEMBL6165621

Cc1ccc(S(N)(=O)=O)c(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.50
CA1 P00915 6/20 0.50
CA9 Q16790 6/20 0.50
CA2 P00918 5/20 0.50
CA14 Q9ULX7 5/20 0.50
MAP4K4 O95819 1/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CYP2C19 P33261 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
NEU3 Q9UQ49 1/20 0.46
SRD5A2 P31213 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL31085516 0.88 HSD17B1 (0.45) CA12CA1CA9CA2ALDH1A1
SCHEMBL10484477 0.86 RXRA (0.49) CA12CA1CA9CA2CA14
SCHEMBL4734280 0.85 PTGS2 (0.53) CA12CA1CA9CA2ALDH1A1
SCHEMBL8012548 0.83 CA1 (0.51) CA12CA1CA9CA2CA14
SCHEMBL29588197 0.82 HDAC7 (0.45) CA12CA1CA9CA2ALDH1A1
SCHEMBL8597605 0.82 HDAC7 (0.45) CA12CA1CA9CA2ALDH1A1
SCHEMBL28182008 0.81 HDAC7 (0.44) CA12CA1CA9CA2ALDH1A1
SCHEMBL6162420 0.80 RXRA (0.43) CA12CA1CA9MAP4K4RXRA
Hydrochloric Acid SCHEMBL5795789 0.78 PTGS2 (0.50) PTGS1PTGS2
SCHEMBL3312743 0.78 CA1 (0.56) CA12CA1CA9CA2CA14

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 disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI CA12 1610/4885CA1 731/4885CA9 987/4885

“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.