SCHEMBL6356970

SCHEMBL6356970

Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 1/20 0.56
▸ ACE P12821 3/20 0.54
▸ KMT2A Q03164 4/20 0.51
▸ POLB P06746 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ TACR1 P25103 7/20 0.51
▸ TP53 P04637 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ITGB2 P05107 1/20 0.47
▸ ICAM1 P05362 1/20 0.47
▸ ITGAL P20701 1/20 0.47

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 0.86 ITGB1 (0.49) ACEKMT2AMEN1TACR1MAPT
SCHEMBL6362899 0.82 P2RY14 (0.54) P2RY14KMT2APOLBMEN1KDM4E
SCHEMBL6356921 0.82 P2RY14 (0.54) P2RY14KMT2APOLBMEN1KDM4E
SCHEMBL14815316 0.81 P2RY14 (0.69) P2RY14ACEKMT2APOLBMEN1
SCHEMBL1458374 0.81 P2RY14 (0.69) P2RY14ACEKMT2APOLBMEN1
SCHEMBL6357181 0.79 ALDH1A1 (0.39) KMT2APOLBMEN1KDM4ESMN1; SMN2
SCHEMBL6363427 0.79 PPARG (0.47) ACEKMT2AMEN1
SCHEMBL5193424 0.79 KMT2A (0.78) P2RY14ACEKMT2APOLBMEN1
SCHEMBL11591677 0.78 ECE1 (0.71) P2RY14ACEKMT2APOLBMEN1
SCHEMBL28046779 0.78 ECE1 (0.71) P2RY14ACEKMT2APOLBMEN1

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 P2RY14 1138/4885ACE 3873/4885KMT2A 1425/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 P2RY14 1138/4885ACE 3873/4885KMT2A 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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