SCHEMBL6357181

SCHEMBL6357181

CCCC(NC(=O)C(C)(C)Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NLRP3 Q96P20 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CNR1 P21554 3/20 0.37
▸ CNR2 P34972 3/20 0.37
▸ FPR2 P25090 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PYGL P06737 1/20 0.37

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
SCHEMBL6355470 0.90 MAPK1 (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6353356 0.87 ITGB1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2PPARA
SCHEMBL6356512 0.86 CNR1 (0.41) ALDH1A1MEN1KMT2ANLRP3SMN1; SMN2
SCHEMBL6363427 0.84 PPARG (0.47) MEN1KMT2APPARAL3MBTL1
SCHEMBL6355586 0.84 CNR1 (0.40) ALDH1A1MEN1KMT2ANLRP3PPARA
SCHEMBL6355164 0.84 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ANLRP3SMN1; SMN2
SCHEMBL6355719 0.83 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ANLRP3SMN1; SMN2
Efaproxiral SCHEMBL1649963 0.81 PPARA (0.54) ALDH1A1MEN1KMT2ANLRP3SMN1; SMN2
Efaproxiral SCHEMBL3768310 0.80 PPARA (0.52) ALDH1A1MEN1KMT2ANLRP3SMN1; SMN2
SCHEMBL6356970 0.79 P2RY14 (0.56) MEN1KMT2ASMN1; SMN2POLBKDM4E

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 4454/4885MEN1 4867/4885KMT2A 1425/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 ALDH1A1 4454/4885MEN1 4867/4885KMT2A 1425/4885

“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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