SCHEMBL6355470

SCHEMBL6355470

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.45
▸ FNTA P49354 5/20 0.44
▸ FNTB P49356 5/20 0.44
▸ PGGT1B P53609 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL6357181 0.90 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6353356 0.85 ITGB1 (0.49) NPSR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6363427 0.84 PPARG (0.47) MEN1KMT2A
SCHEMBL6356512 0.83 CNR1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6355586 0.82 CNR1 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL6355164 0.81 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6355719 0.81 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6360206 0.79 MAPK1 (0.43) MAPK1FNTAFNTBPGGT1BNPSR1
SCHEMBL6358814 0.79 MAPK1 (0.43) MAPK1FNTAFNTBPGGT1BNPSR1
Efaproxiral SCHEMBL1649963 0.78 PPARA (0.54) ALDH1A1SMN1; SMN2MEN1KMT2A

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 MAPK1 4777/4885FNTA 321/4885FNTB 164/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 MAPK1 4777/4885FNTA 321/4885FNTB 164/4885

“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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