SCHEMBL20951504

SCHEMBL20951504

CC(=O)N[C@@H](Cc1ccc(CNC(=O)O)cc1)C(=O)NC(C)(C)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ GNPAT O15228 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CACNA1C Q13936 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA13 Q8N1Q1 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ GRIA1 P42261 1/20 0.42
▸ ANPEP P15144 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
SCHEMBL20951507 1.00 CTSS (0.46) CTSSCTSKGNPATRAB9ACA12
SCHEMBL20952208 0.88 GNPAT (0.44) CTSSCTSKGNPATCA2GRIA1
SCHEMBL20952207 0.88 GNPAT (0.44) CTSSCTSKGNPATCA2GRIA1
SCHEMBL20950860 0.86 ITGB1 (0.45) CTSSCTSKGNPATGRIA1TACR1
SCHEMBL20950858 0.86 ITGB1 (0.45) CTSSCTSKGNPATGRIA1TACR1
SCHEMBL20950943 0.85 CYP1A2 (0.40) GRB2TSHR
SCHEMBL20950945 0.85 CYP1A2 (0.40) GRB2TSHR
SCHEMBL20950960 0.85 GRIA1 (0.45) CTSSCTSKGNPATGRIA1GRB2
SCHEMBL20950958 0.85 GRIA1 (0.45) CTSSCTSKGNPATGRIA1GRB2
SCHEMBL20965495 0.76 CA1 (0.39) CTSSCTSKGNPATCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION 2019-05-02 — — 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-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS TGFB1, TGFB2, SMAD3 CTSS 1723/4885CTSK 1081/4885GNPAT 2973/4885

“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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