SCHEMBL6292874

SCHEMBL6292874

COCCOc1ccsc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 7/20 0.51
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50
MEN1 O00255 5/20 0.49
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 3/20 0.43
IKBKB O14920 1/20 0.43
GAA P10253 2/20 0.42
ESR2 Q92731 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
AXL P30530 1/20 0.39
ABCC1 P33527 1/20 0.39

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
SCHEMBL4831596 0.85 RAB9A (0.55) L3MBTL1RAB9AKMT2APTPRCPTPN1
SCHEMBL21939309 0.83 L3MBTL1 (0.52) L3MBTL1RAB9AKMT2APTPRCPTPN1
SCHEMBL2451517 0.82 ALDH1A1 (0.57) L3MBTL1RAB9AKMT2APTPRCPTPN1
SCHEMBL7263863 0.82 RAB9A (0.52) L3MBTL1RAB9AKMT2APTPRCPTPN1
SCHEMBL1840806 0.81 KMT2A (0.70) L3MBTL1RAB9AKMT2APTPRCPTPN1
SCHEMBL31078784 0.80 L3MBTL1 (0.57) L3MBTL1RAB9AKMT2APTPRCPTPN1
SCHEMBL6264816 0.79 KMT2A (0.77) L3MBTL1RAB9AKMT2APTPRCPTPN1
SCHEMBL834652 0.78 RAB9A (0.50) L3MBTL1RAB9AKMT2APTPRCPTPN1
SCHEMBL6263195 0.77 PTPN1 (0.54) L3MBTL1RAB9AKMT2APTPRCPTPN1
SCHEMBL3906779 0.77 PTPN1 (0.54) L3MBTL1RAB9AKMT2APTPRCPTPN1

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
US-6946462-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US claimed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 US claimed
US-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HAAG RAINER (DE) 2004-09-30 US claimed
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2003-07-24 US claimed
US-6946462-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US disclosed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 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 (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-20040192744-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 L3MBTL1 3796/4885RAB9A 2425/4885KMT2A 2078/4885
US-20030139404-A1 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents NAT1, CYP1A1, UGT1A1 L3MBTL1 3796/4885RAB9A 2425/4885KMT2A 2078/4885

“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.