SCHEMBL6812178

SCHEMBL6812178

CC(C)NC1(c2ccccc2)CCN(C(=O)NC(Cc2c[nH]c(=O)nc2NC(=O)c2c(Cl)cccc2Cl)C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 17/20 0.42
ITGA4 P13612 17/20 0.42
TACR2 P21452 1/20 0.40
TACR1 P25103 1/20 0.40
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39

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
SCHEMBL6802798 0.93 ITGB1 (0.41) ITGB1ITGA4TACR2TACR1ITGB2
SCHEMBL6807859 0.92 TACR2 (0.43) ITGB1ITGA4TACR2TACR1ITGB2
SCHEMBL6807866 0.92 ITGB2 (0.42) ITGB1ITGA4TACR2TACR1ITGB2
SCHEMBL6808892 0.91 TACR2 (0.49) ITGB1ITGA4TACR2TACR1ITGB2
SCHEMBL6813132 0.90 TACR2 (0.38) ITGB1ITGA4TACR2TACR1ITGB2
SCHEMBL6808146 0.90 TACR2 (0.41) ITGB1ITGA4TACR2TACR1ITGB2
SCHEMBL6806847 0.90 TACR2 (0.39) ITGB1ITGA4TACR2TACR1ITGB2
SCHEMBL6812559 0.90 TACR2 (0.41) ITGB1ITGA4TACR2TACR1ITGB2
SCHEMBL6806875 0.88 TACR2 (0.39) ITGB1ITGA4TACR2TACR1ITGB2
SCHEMBL6808154 0.87 TACR1 (0.40) ITGB1ITGA4TACR2TACR1ITGB2

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 221/4885TACR2 2639/4885

“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.