SCHEMBL3689507

SCHEMBL3689507

COc1ccc(C[C@H](NC(=O)NCc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.57
▸ FPR2 P25090 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 1/20 0.50
▸ ANPEP P15144 1/20 0.46
▸ CA2 P00918 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ALB P02768 1/20 0.45
▸ IL2 P60568 1/20 0.45
▸ ATM Q13315 2/20 0.45
▸ LDHA P00338 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1310365 1.00 KMT2A (0.57) KMT2AFPR2ALDH1A1GAAANPEP
SCHEMBL1308795 0.92 ATM (0.53) KMT2AFPR2ANPEPATML3MBTL1
SCHEMBL1308801 0.92 ATM (0.53) KMT2AFPR2ANPEPATML3MBTL1
SCHEMBL1307925 0.90 KMT2A (0.67) KMT2AFPR2ALDH1A1GAACA2
SCHEMBL3685242 0.90 KMT2A (0.67) KMT2AFPR2ALDH1A1GAACA2
SCHEMBL1310698 0.83 KMT2A (0.49) KMT2AFPR2ALDH1A1CA2ALOX15
SCHEMBL1310695 0.83 KMT2A (0.49) KMT2AFPR2ALDH1A1CA2ALOX15
SCHEMBL1310417 0.81 KMT2A (0.55) KMT2AFPR2ATML3MBTL1
SCHEMBL1310421 0.81 KMT2A (0.55) KMT2AFPR2ATML3MBTL1
SCHEMBL8772939 0.80 LDHA (0.45) KMT2AFPR2ALDH1A1CA2LDHA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877968-B2 Melanocortin receptor modulators, process for preparing them and use there in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-11-04 — — US disclosed
EP-2352728-B1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2014-05-21 — — EP disclosed
US-20120301458-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2012-11-29 — — US disclosed
WO-2010099217-A1 MODULATION OF NEUROGENESIS USING D-CYCLOSERINE COMBINATIONS BRAINCELLS, INC. (US) 2010-09-02 — — WO disclosed
WO-2010052255-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 — — 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 (1 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-20120301458-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 KMT2A 4671/4885FPR2 113/4885ALDH1A1 2770/4885

“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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