SCHEMBL3835537

SCHEMBL3835537

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.49
ITGB1 P05556 13/20 0.48
ITGA4 P13612 13/20 0.48
ITGB7 P26010 6/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
GAA P10253 1/20 0.47
LDHA P00338 1/20 0.43

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
SCHEMBL3833211 0.86 ITGB1 (0.50) FPR2ITGB1ITGA4ITGB7ALDH1A1
SCHEMBL1021636 0.85 ITGA4 (0.48) FPR2ITGB1ITGA4ITGB7
SCHEMBL2991512 0.80 SLC7A5 (0.54) LDHA
SCHEMBL7271174 0.78 SIGMAR1 (0.56) FPR2
SCHEMBL839840 0.78 SIGMAR1 (0.56) FPR2
SCHEMBL1958454 0.78 SIGMAR1 (0.56) FPR2
SCHEMBL3833206 0.77 ALDH1A1 (0.51) ITGB1ITGA4ITGB7ALDH1A1LDHA
SCHEMBL25424592 0.77 MME (0.61)
SCHEMBL25424588 0.77 MME (0.61)
Hydrochloric Acid SCHEMBL393424 0.77 SIGMAR1 (0.55) FPR2

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 FPR2 33/4885ITGB1 3/4885ITGA4 40/4885

“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.