SCHEMBL20950860

SCHEMBL20950860

CC(=O)NC(Cc1ccc(NC(=O)O)cc1)C(=O)NC(C)(C)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 3/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ ITGB3 P05106 2/20 0.44
▸ ITGAV P06756 2/20 0.44
▸ ITGA2B P08514 2/20 0.44
▸ ITGB5 P18084 2/20 0.44
▸ GNPAT O15228 1/20 0.44
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ PSMB8 P28062 2/20 0.42
▸ PSMB11 A5LHX3 1/20 0.42
▸ PSMD11 O00231 1/20 0.42
▸ PSMD12 O00232 1/20 0.42
▸ PSMD14 O00487 1/20 0.42
▸ PSMA7 O14818 1/20 0.42
▸ PSMD3 O43242 1/20 0.42
▸ PSMC3 P17980 1/20 0.42
▸ PSMB1 P20618 1/20 0.42
▸ PSMA1 P25786 1/20 0.42
▸ PSMA2 P25787 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
SCHEMBL20950858 1.00 ITGB1 (0.45) ITGB1ITGA4ITGB3ITGAVITGA2B
SCHEMBL20951507 0.86 CTSS (0.46) ITGB3ITGA2BGNPATCTSSCTSK
SCHEMBL20951504 0.86 CTSS (0.46) ITGB3ITGA2BGNPATCTSSCTSK
SCHEMBL20951916 0.85 GAA (0.41) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL20951915 0.85 GAA (0.41) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL20950960 0.85 GRIA1 (0.45) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL20952207 0.85 GNPAT (0.44) ITGB3ITGA2BGNPATCTSSCTSK
SCHEMBL20952208 0.85 GNPAT (0.44) ITGB3ITGA2BGNPATCTSSCTSK
SCHEMBL20950958 0.85 GRIA1 (0.45) ITGB1ITGB3ITGAVITGA2BITGB5
SCHEMBL20965495 0.73 CA1 (0.39) GNPATCTSSCTSKKMT2A

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 ITGB1 802/4885ITGA4 1672/4885ITGB3 526/4885
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors TGFB1, TGFB2, SMAD3 ITGB1 802/4885ITGA4 1672/4885ITGB3 526/4885

“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