SCHEMBL7089401

SCHEMBL7089401

COc1ccc(-c2ccccc2C(=O)C(=O)c2ccccc2)c(-c2ccc(SC)cc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
KDM4E B2RXH2 2/20 0.36
APAF1 O14727 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
MCL1 Q07820 1/20 0.36
CASP8 Q14790 1/20 0.36
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL7085575 0.89 SMN1; SMN2 (0.40) SMN1; SMN2CES2CES1KDM4EAPAF1
SCHEMBL7493552 0.84 PTGS2 (0.44)
SCHEMBL7091526 0.83 CES2 (0.34) SMN1; SMN2CES2CES1KDM4EKMT2A
SCHEMBL7090552 0.76 CES2 (0.37) CES2CES1MCL1MAPT
SCHEMBL7088115 0.75 SLC6A4 (0.42) SMN1; SMN2CES2CES1FABP3FABP4
SCHEMBL7084270 0.73 PTGS2 (0.44) SMN1; SMN2NPC1RAB9A
SCHEMBL8799866 0.73 CES2 (0.51) CES2CES1KDM4EKMT2AHPGD
SCHEMBL7085231 0.72 PTGS2 (0.48) CES2CES1
SCHEMBL7133863 0.71 RAB9A (0.46) SMN1; SMN2KMT2AHPGDMEN1L3MBTL1
SCHEMBL7090546 0.71 CES1 (0.36) SMN1; SMN2CES1KDM4EKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 SMN1; SMN2 3814/4885CES2 984/4885CES1 374/4885

“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.