SCHEMBL6355719

SCHEMBL6355719

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ NLRP3 Q96P20 2/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ TMPRSS15 P98073 2/20 0.37
▸ CNR1 P21554 3/20 0.37
▸ CNR2 P34972 3/20 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
SCHEMBL6355164 0.91 ALDH1A1 (0.39) ALDH1A1POLBL3MBTL1SMN1; SMN2MAPT
SCHEMBL6357181 0.83 ALDH1A1 (0.39) ALDH1A1POLBL3MBTL1SMN1; SMN2RAB9A
SCHEMBL6356512 0.83 CNR1 (0.41) ALDH1A1POLBL3MBTL1SMN1; SMN2MAPT
SCHEMBL6353356 0.83 ITGB1 (0.49) ALDH1A1L3MBTL1SMN1; SMN2MAPTRAB9A
SCHEMBL6355586 0.81 CNR1 (0.40) ALDH1A1L3MBTL1PPARAMEN1KMT2A
SCHEMBL6355470 0.81 MAPK1 (0.45) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6357176 0.81 ALDH1A1 (0.44) ALDH1A1POLBL3MBTL1SMN1; SMN2MAPT
Efaproxiral SCHEMBL1649963 0.80 PPARA (0.54) ALDH1A1POLBL3MBTL1SMN1; SMN2MAPT
SCHEMBL6363427 0.80 PPARG (0.47) L3MBTL1PPARAMEN1KMT2A
Efaproxiral SCHEMBL3768310 0.79 PPARA (0.52) ALDH1A1L3MBTL1SMN1; SMN2MAPTRAB9A

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 4454/4885POLB 4679/4885L3MBTL1 516/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 ALDH1A1 4454/4885POLB 4679/4885L3MBTL1 516/4885

“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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