SCHEMBL3833211

SCHEMBL3833211

CN[C@@H](Cc1cc(OC)c(-c2ccccc2)c(OC)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.50
ITGA4 P13612 14/20 0.50
ITGB7 P26010 6/20 0.49
FPR2 P25090 1/20 0.48
ALDH1A1 P00352 2/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.46
LDHA P00338 1/20 0.46

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
SCHEMBL3835537 0.86 FPR2 (0.49) ITGB1ITGA4ITGB7FPR2ALDH1A1
Hydrochloric Acid SCHEMBL7045645 0.84 ITGB1 (0.65) ITGB1ITGA4ITGB7
SCHEMBL2991512 0.82 SLC7A5 (0.54) LDHA
SCHEMBL31267220 0.81 LDHA (0.69) FPR2ALDH1A1ALOX15LDHA
SCHEMBL22445012 0.81 LDHA (0.69) FPR2ALDH1A1ALOX15LDHA
SCHEMBL10065588 0.81 LDHA (0.69) FPR2ALDH1A1ALOX15LDHA
SCHEMBL805254 0.81 LDHA (0.69) FPR2ALDH1A1ALOX15LDHA
SCHEMBL3833206 0.80 ALDH1A1 (0.51) ITGB1ITGA4ITGB7ALDH1A1LDHA
SCHEMBL22108718 0.79 FOS (0.59) ALDH1A1ALOX15GAALDHA
SCHEMBL22108989 0.79 FOS (0.59) ALDH1A1ALOX15GAALDHA

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-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

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-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 ITGB1 3/4885ITGA4 40/4885ITGB7 11/4885

“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.