SCHEMBL3837359

SCHEMBL3837359

CC1(C)C(=O)C(Br)=C1N[C@@](C)(Cc1ccc(Oc2nccc3ccncc23)cc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
DRD1 P21728 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
GRM4 Q14833 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL2980127 0.80 ITGB1 (0.53) ITGB1ITGA4
SCHEMBL3837352 0.78 ITGB1 (0.45) FFAR1DRD1ITGB1ITGA4
SCHEMBL3837356 0.75 FFAR1 (0.37) FFAR1DRD1ITGB1ITGA4GRM4
SCHEMBL5147710 0.75 FFAR1 (0.33) FFAR1DRD1TRPV1
SCHEMBL5147515 0.75 FFAR1 (0.36) FFAR1DRD1ITGB1ITGA4GRM4
SCHEMBL5182529 0.73 LATS1 (0.40) FFAR1DRD1GRM4TRPV1
SCHEMBL5258870 0.72 FFAR1 (0.41) FFAR1DRD1GRM4KDM4CTRPV1
SCHEMBL7107376 0.70 ITGB1 (0.36) FFAR1DRD1ITGB1ITGA4GRM4
SCHEMBL5259953 0.70 FFAR1 (0.36) FFAR1DRD1GRM4KDM4CTRPV1
SCHEMBL2973984 0.70 ITGB1 (0.55) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531549-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-05-12 US disclosed
US-7501437-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-03-10 US disclosed
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders UCB PHARMA S.A. (BE) 2007-07-19 US disclosed
EP-1780201-A2 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS Celltech R&D Limited (GB) 2007-05-02 EP disclosed
US-20070027174-A1 Phenylalanine Enamide Derivatives CELLTECH R&D LIMITED 2007-02-01 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-20070027174-A1 Phenylalanine Enamide Derivatives PAH, HRH3, AGTR2 FFAR1 140/4885DRD1 1497/4885ITGB1 77/4885
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders ITGB2, VCAM1, ITGB1 FFAR1 151/4885DRD1 3101/4885ITGB1 3/4885

“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.