SCHEMBL6162420

SCHEMBL6162420

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALKBH2 Q6NS38 2/20 0.42
ALKBH3 Q96Q83 2/20 0.42
FTO Q9C0B1 2/20 0.42
ALKBH5 Q6P6C2 1/20 0.42
MAP4K4 O95819 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
APOBEC3A P31941 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6166229 0.87 HPGD (0.48) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL6163373 0.85 ALOX5AP (0.46) RXRARXRBMAP4K4RXRGALOX5AP
SCHEMBL890690 0.82 ALOX5AP (0.54) ALOX5APFEN1
SCHEMBL6163208 0.82 ALOX5AP (0.45) ALDH1A1ALOX5APFEN1
SCHEMBL10484477 0.81 RXRA (0.49) RXRARXRBALDH1A1SMN1; SMN2ALKBH2
SCHEMBL6165621 0.80 CA12 (0.50) RXRARXRBALDH1A1SMN1; SMN2MAP4K4
SCHEMBL8550845 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL6167248 0.73 PTGS1 (0.47) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL3716571 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL10110947 0.73 ALDH1A1 (0.57) RXRARXRBALDH1A1SMN1; SMN2MAP4K4

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 RXRA 1077/4885RXRB 1567/4885ALDH1A1 1388/4885

“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.