SCHEMBL20965495

SCHEMBL20965495

CC(=O)N[C@@H](CCc1ccc(N)cc1)C(=O)NC(C)(C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.39
▸ CA2 P00918 7/20 0.39
▸ ALB P02768 3/20 0.37
▸ ESRRG P62508 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ ACACB O00763 2/20 0.36
▸ GNPAT O15228 1/20 0.36
▸ CPA1 P15085 2/20 0.35
▸ CPA2 P48052 2/20 0.35
▸ CPA4 Q9UI42 2/20 0.35
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL20952207 0.87 GNPAT (0.44) CA2CTSSCTSKGNPAT
SCHEMBL20952208 0.87 GNPAT (0.44) CA2CTSSCTSKGNPAT
SCHEMBL20950960 0.77 GRIA1 (0.45) CTSSCTSKACACBGNPAT
SCHEMBL20950958 0.77 GRIA1 (0.45) CTSSCTSKACACBGNPAT
SCHEMBL20951504 0.76 CTSS (0.46) CA1CA2CTSSCTSKGNPAT
SCHEMBL20951507 0.76 CTSS (0.46) CA1CA2CTSSCTSKGNPAT
SCHEMBL20951608 0.74 SIRT6 (0.48) CA1CA2GNPATCPA1CPA2
SCHEMBL20951496 0.74 SIRT6 (0.48) CA1CA2GNPATCPA1CPA2
SCHEMBL20951495 0.74 SIRT6 (0.48) CA1CA2GNPATCPA1CPA2
SCHEMBL20950858 0.73 ITGB1 (0.45) CTSSCTSKGNPATKMT2A

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-11046729-B2 Dipeptide analogs as TGF-beta inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2021-06-29 — — US disclosed
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 (2 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 CA1 2790/4885CA2 2367/4885ALB 1312/4885
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors TGFB1, TGFB2, SMAD3 CA1 2790/4885CA2 2367/4885ALB 1312/4885

“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.

Send feedback