SCHEMBL6357176

SCHEMBL6357176

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ PPARA Q07869 5/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NLRP3 Q96P20 2/20 0.42
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ SCN10A Q9Y5Y9 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
Efaproxiral SCHEMBL1649963 0.86 PPARA (0.54) ALDH1A1MEN1KMT2APOLBPPARA
Efaproxiral SCHEMBL3768310 0.85 PPARA (0.52) ALDH1A1MEN1KMT2APPARAL3MBTL1
SCHEMBL12998270 0.83 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6356512 0.83 CNR1 (0.41) ALDH1A1MEN1KMT2APOLBPPARA
SCHEMBL14341054 0.82 ALDH1A1 (0.51) ALDH1A1LMNAMEN1KMT2APOLB
Efaproxiral SCHEMBL3763811 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6355586 0.81 CNR1 (0.40) ALDH1A1MEN1KMT2APPARAL3MBTL1
SCHEMBL6355719 0.81 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL12998285 0.81 PPARA (0.53) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL6357181 0.79 ALDH1A1 (0.39) ALDH1A1LMNAMEN1KMT2APOLB

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 ALDH1A1 4454/4885LMNA 4362/4885MEN1 4867/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 ALDH1A1 4454/4885LMNA 4362/4885MEN1 4867/4885

“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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