SCHEMBL5148592

SCHEMBL5148592

CCC[C@@]1(C)C(=O)C=C1N(CC)[C@@H](Cc1ccc(Oc2nccc3ccncc23)cc1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.33
FFAR1 O14842 1/20 0.33
ITGB1 P05556 3/20 0.31
ITGA4 P13612 3/20 0.31
P2RX7 Q99572 1/20 0.30
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
MAOB P27338 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
SCHEMBL5148492 0.81 KDM4C (0.31)
SCHEMBL5148463 0.81 TRPV1 (0.32) ITGB1ITGA4
SCHEMBL2978167 0.81 ITGB1 (0.45) DRD1FFAR1ITGB1ITGA4PPARG
SCHEMBL2978173 0.81 ITGB1 (0.45) DRD1FFAR1ITGB1ITGA4PPARG
SCHEMBL2978120 0.76 ITGB1 (0.42) DRD1FFAR1ITGB1ITGA4PPARG
SCHEMBL7259000 0.74 DRD1 (0.37) DRD1FFAR1ITGB1ITGA4P2RX7
SCHEMBL5148581 0.73 FFAR1 (0.36) DRD1FFAR1ITGB1ITGA4
SCHEMBL5574241 0.72 ITGB1 (0.51) DRD1FFAR1ITGB1ITGA4PPARG
SCHEMBL2982542 0.72 ITGB1 (0.51) DRD1FFAR1ITGB1ITGA4PPARG
SCHEMBL6537418 0.71 ITGB3 (0.45) DRD1FFAR1

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-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 DRD1 3101/4885FFAR1 151/4885ITGB1 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.