SCHEMBL7144431

SCHEMBL7144431

CC(C)(C)OC(=O)N[C@H](CC(=O)O)c1ccc(Nc2nccc3cnccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.36
LATS1 O95835 5/20 0.36
LATS2 Q9NRM7 1/20 0.35
CTSA P10619 1/20 0.35
ROCK2 O75116 1/20 0.35
PTPRB P23467 1/20 0.35

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
SCHEMBL7144436 1.00 TRPV1 (0.36) TRPV1LATS1LATS2CTSAROCK2
SCHEMBL5147804 0.83 EGFR (0.38) TRPV1LATS1LATS2
SCHEMBL2978498 0.81 ITGB3 (0.48) PTPRB
SCHEMBL7104303 0.81 ITGB3 (0.48) PTPRB
SCHEMBL13802935 0.79 AAK1 (0.41) CTSAROCK2
SCHEMBL5262088 0.79 KLK5 (0.44) PTPRB
SCHEMBL5262085 0.79 KLK5 (0.44) PTPRB
SCHEMBL7168174 0.78 ROCK2 (0.38) ROCK2
SCHEMBL7168182 0.78 ROCK2 (0.38) ROCK2
SCHEMBL5147808 0.78 LATS1 (0.40) TRPV1LATS1LATS2ROCK2PTPRB

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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents CELLTECH R&D LIMITED (GB) 2003-08-28 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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents ICAM1, VCAM1, CCR1 TRPV1 529/4885LATS1 805/4885LATS2 913/4885

“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.