SCHEMBL6356512

SCHEMBL6356512

Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)NC(C)C(=O)O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 8/20 0.41
▸ CNR2 P34972 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41
▸ PPARA Q07869 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 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
SCHEMBL6355586 0.90 CNR1 (0.40) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL6357181 0.86 ALDH1A1 (0.39) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL6353356 0.85 ITGB1 (0.49) CNR1CNR2ALDH1A1MEN1KMT2A
Efaproxiral SCHEMBL1649963 0.84 PPARA (0.54) ALDH1A1MEN1KMT2AL3MBTL1NLRP3
SCHEMBL6355470 0.83 MAPK1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2
Efaproxiral SCHEMBL3768310 0.83 PPARA (0.52) ALDH1A1MEN1KMT2AL3MBTL1NLRP3
SCHEMBL6355719 0.83 ALDH1A1 (0.40) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL6357176 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1NLRP3
SCHEMBL6363427 0.82 PPARG (0.47) MEN1KMT2AL3MBTL1PPARA
SCHEMBL12998270 0.82 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers ALLOS THERAPEUTICS, INC. 2005-07-14 — — US disclosed
US-6894185-B2 Substituted chiral allosteric hemoglobin modifiers Allós Therapeutics, Inc. (US) 2005-05-17 — — US disclosed
EP-1206442-A4 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS UNIV VIRGINIA COMMONWEALTH (US) 2004-12-29 — — EP disclosed
US-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers ABRAHAM DONALD J (US) 2003-07-10 — — US disclosed
US-6486342-B1 Substituted chiral allosteric hemoglobin modifiers VIRGINIA COMMONWEALTH UNIVERSITY 2002-11-26 — — US disclosed
EP-1206442-A1 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2002-05-22 — — EP disclosed
WO-2001014316-A1 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2001-03-01 — — 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 (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-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 CNR1 1534/4885CNR2 1754/4885ALDH1A1 4454/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 CNR1 1534/4885CNR2 1754/4885ALDH1A1 4454/4885

“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.

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