SCHEMBL3685242

SCHEMBL3685242

COc1ccc(C[C@H](NC(=O)NCCc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.67
▸ FPR2 P25090 2/20 0.50
▸ ITGB3 P05106 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ LDHA P00338 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
SCHEMBL1307925 1.00 KMT2A (0.67) KMT2AFPR2ITGB3ITGAVALDH1A1
SCHEMBL1310417 0.92 KMT2A (0.55) KMT2AFPR2L3MBTL1
SCHEMBL1310421 0.92 KMT2A (0.55) KMT2AFPR2L3MBTL1
SCHEMBL1310365 0.90 KMT2A (0.57) KMT2AFPR2ALDH1A1L3MBTL1CA2
SCHEMBL3689507 0.90 KMT2A (0.57) KMT2AFPR2ALDH1A1L3MBTL1CA2
SCHEMBL1310695 0.85 KMT2A (0.49) KMT2AFPR2ITGB3ALDH1A1CA2
SCHEMBL1310698 0.85 KMT2A (0.49) KMT2AFPR2ITGB3ALDH1A1CA2
SCHEMBL1309687 0.85 KMT2A (0.48) KMT2AFPR2
SCHEMBL15016459 0.83 KMT2A (0.47) KMT2AFPR2ALDH1A1GAA
SCHEMBL15016559 0.82 KMT2A (0.46) KMT2AFPR2ITGB3ITGAV

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-20150329522-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-11-19 — — US disclosed
US-8962846-B2 Melanocortin receptor antagonist compounds, process for preparing them and use thereof in human medicine and cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-02-24 — — 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
EP-2352729-B1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2014-05-14 — — EP disclosed
WO-2012131090-A1 METHOD FOR TREATMENT OF XERODERMA PIGMENTOSUM GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-04 — — 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
WO-2010052256-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, 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-20150329522-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS MC1R, MC5R, MC3R KMT2A 2301/4885FPR2 213/4885ITGB3 2193/4885

“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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