SCHEMBL6357278

SCHEMBL6357278

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.52
▸ ALDH1A1 P00352 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ NLRP3 Q96P20 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6357275 0.92 EPHX2 (0.48) EPHX2ALDH1A1L3MBTL1KMT2ANLRP3
SCHEMBL6357609 0.87 PPARA (0.48) ALDH1A1L3MBTL1KMT2ANLRP3MEN1
SCHEMBL8700410 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2ANLRP3MEN1
SCHEMBL19602224 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1KMT2ANLRP3MEN1
SCHEMBL6357646 0.79 NLRP3 (0.55) ALDH1A1KMT2ANLRP3MEN1KDM4E
SCHEMBL6357782 0.79 NLRP3 (0.52) ALDH1A1L3MBTL1KMT2ANLRP3MEN1
SCHEMBL6355171 0.78 SMN1; SMN2 (0.52) ALDH1A1L3MBTL1KMT2ANLRP3MEN1
SCHEMBL6357894 0.77 RORC (0.46) ALDH1A1L3MBTL1KMT2ANLRP3MEN1
SCHEMBL8412730 0.77 SMN1; SMN2 (0.47) ALDH1A1L3MBTL1KMT2ANLRP3MEN1
SCHEMBL6355594 0.76 PPARG (0.50) ALDH1A1L3MBTL1KMT2ANLRP3MEN1

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 EPHX2 1947/4885ALDH1A1 4454/4885L3MBTL1 516/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 EPHX2 1947/4885ALDH1A1 4454/4885L3MBTL1 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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