SCHEMBL1311053

SCHEMBL1311053

COc1ccc(C[C@](N)(C(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FABP5 Q01469 3/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ MDM2 Q00987 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ FABP7 O15540 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LDHA P00338 1/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP13 P45452 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
SCHEMBL5264305 0.89 SMN1; SMN2 (0.55) FABP5SMN1; SMN2HIF1AKMT2AFABP7
SCHEMBL27522574 0.89 SMN1; SMN2 (0.55) FABP5SMN1; SMN2HIF1AKMT2AFABP7
SCHEMBL29019464 0.89 SMN1; SMN2 (0.55) FABP5SMN1; SMN2HIF1AKMT2AFABP7
SCHEMBL28356620 0.89 SMN1; SMN2 (0.42) FABP5SMN1; SMN2HIF1AMDM2KMT2A
SCHEMBL29019459 0.89 SMN1; SMN2 (0.42) FABP5SMN1; SMN2HIF1AMDM2KMT2A
SCHEMBL29019435 0.89 SMN1; SMN2 (0.42) FABP5SMN1; SMN2HIF1AMDM2KMT2A
SCHEMBL31665940 0.87 MDM2 (0.38) FABP5SMN1; SMN2HIF1AMDM2KMT2A
SCHEMBL28884665 0.87 SMN1; SMN2 (0.45) FABP5SMN1; SMN2HIF1AKMT2AFABP7
SCHEMBL28884667 0.87 SMN1; SMN2 (0.45) FABP5SMN1; SMN2HIF1AKMT2AFABP7
SCHEMBL16634841 0.86 SMN1; SMN2 (0.46) FABP5SMN1; SMN2HIF1AMDM2KMT2A

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 3 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-20110275657-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THERE IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-11-10 — — US 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-20110275657-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THERE IN HUMAN MEDICINE AND COSMETICS MC1R, MC5R, MC3R FABP5 882/4885SMN1; SMN2 4580/4885HIF1A 2297/4885

“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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