SCHEMBL6363427

SCHEMBL6363427

Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)NC(CSCc3ccccc3)C(=O)O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.47
▸ PPARA Q07869 4/20 0.47
▸ ACE P12821 5/20 0.45
▸ PPARD Q03181 2/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SLC10A1 Q14973 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6353356 0.89 ITGB1 (0.49) PPARAACEMEN1KMT2AL3MBTL1
SCHEMBL6357181 0.84 ALDH1A1 (0.39) PPARAMEN1KMT2AL3MBTL1
SCHEMBL6355470 0.84 MAPK1 (0.45) MEN1KMT2A
SCHEMBL6356512 0.82 CNR1 (0.41) PPARAMEN1KMT2AL3MBTL1
SCHEMBL6355158 0.81 PPARG (0.42) PPARGPPARAACEPPARDMEN1
SCHEMBL6355586 0.80 CNR1 (0.40) PPARAMEN1KMT2AL3MBTL1
SCHEMBL6355164 0.80 ALDH1A1 (0.39) PPARAMEN1KMT2AL3MBTL1
SCHEMBL6355719 0.80 ALDH1A1 (0.40) PPARAMEN1KMT2AL3MBTL1
SCHEMBL6356970 0.79 P2RY14 (0.56) ACEMEN1KMT2A
SCHEMBL6485680 0.79 PPARG (0.44) PPARGPPARAACEPPARDMEN1

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 PPARG 943/4885PPARA 1742/4885ACE 3873/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 PPARG 943/4885PPARA 1742/4885ACE 3873/4885

“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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