SCHEMBL5966635

SCHEMBL5966635

O=C(CCc1ccccc1)NC(Cc1ccccc1)C(=O)NC(CCCc1c[nH]cn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.47
▸ ITGA2B P08514 2/20 0.47
▸ PIN1 Q13526 1/20 0.47
▸ GNPAT O15228 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ GRIA1 P42261 1/20 0.42
▸ CTSG P08311 1/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ CTSL P07711 1/20 0.42
▸ MME P08473 1/20 0.41
▸ ACE P12821 1/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41

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
SCHEMBL5966639 1.00 ITGB3 (0.47) ITGB3ITGA2BPIN1GNPATHDAC8
SCHEMBL10827295 0.83 PIN1 (0.56) ITGB3ITGA2BPIN1HDAC8PTPN1
SCHEMBL18797858 0.83 LTA4H (0.45) MMEACE
SCHEMBL27608485 0.80 SLC15A2 (0.56) PIN1GNPAT
SCHEMBL27608488 0.80 SLC15A2 (0.56) PIN1GNPAT
SCHEMBL2704790 0.80 MME (0.53) ITGB3ITGA2BPIN1GNPATHDAC8
SCHEMBL8699341 0.79 ITGB3 (0.49) ITGB3ITGA2BHDAC8PTPN1MME
SCHEMBL5598794 0.79 MME (0.46) ITGB3ITGA2BGNPATMMP2MMP7
SCHEMBL5598789 0.79 MME (0.46) ITGB3ITGA2BGNPATMMP2MMP7
SCHEMBL30692732 0.79 MME (0.46) ITGB3ITGA2BGNPATMMP2MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 — — US disclosed
CN-1571796-A Melanocortin receptor ligands PROCTER & GAMBLE (US) 2005-01-26 — — CN 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-20060128613-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R ITGB3 788/4885ITGA2B 2088/4885PIN1 4199/4885

“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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