SCHEMBL6812470

SCHEMBL6812470

Cc1cccc(C)c1C(=O)Nc1ccc(CC(NC(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 10/20 0.50
ITGA4 P13612 10/20 0.50
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
ITGA2 P17301 1/20 0.48
ITGB7 P26010 1/20 0.48
OPRK1 P41145 4/20 0.47
PLD2 O14939 1/20 0.46
PLD1 Q13393 1/20 0.46
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRL1 P41146 2/20 0.45
CALCRL Q16602 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL6807443 0.94 ITGB1 (0.50) ITGB1ITGA4CTSBCTSSCTSK
SCHEMBL6807923 0.91 CTSB (0.48) ITGB1ITGA4CTSBCTSSCTSK
SCHEMBL6807468 0.91 ITGB1 (0.54) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6812370 0.85 PLD1 (0.47) ITGB1ITGA4CTSBCTSSCTSK
SCHEMBL6807415 0.84 ITGA4 (0.50) ITGB1ITGA4ITGA2ITGB7OPRK1
SCHEMBL5779538 0.82 OPRK1 (0.51) CTSBCTSSCTSKOPRK1PLD2
SCHEMBL6808097 0.78 ITGB1 (0.54) ITGB1ITGA4ITGA2ITGB7L3MBTL1
SCHEMBL5781119 0.77 PLD1 (0.50) CTSBCTSSCTSKOPRK1PLD2
SCHEMBL5780094 0.77 CTSB (0.58) CTSBCTSSCTSKOPRK1PLD2
SCHEMBL6802711 0.75 CALCRL (0.63) ITGB1ITGA4OPRM1CALCRL

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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM ITGB1 55/4885ITGA4 221/4885CTSB 1720/4885

“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.