SCHEMBL6812412

SCHEMBL6812412

Cc1cccc(C)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCC(NS(=O)(=O)c2ccccc2)(c2ccccc2)CC1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 6/20 0.40
TACR1 P25103 5/20 0.40
ITGB2 P05107 3/20 0.40
ICAM1 P05362 3/20 0.40
ITGAL P20701 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 4/20 0.32
NAMPT P43490 1/20 0.32
TP53 P04637 1/20 0.32
ITGB1 P05556 3/20 0.32
ITGA4 P13612 2/20 0.32
ITGB7 P26010 1/20 0.32
MMP9 P14780 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ITGB3 P05106 1/20 0.31

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
SCHEMBL6807517 0.93 ITGB2 (0.41) TACR2TACR1ITGB2ICAM1ITGAL
SCHEMBL6806810 0.92 ITGB2 (0.40) TACR2TACR1ITGB2ICAM1ITGAL
SCHEMBL6806875 0.92 TACR2 (0.39) TACR2TACR1ITGB2ICAM1ITGAL
SCHEMBL6808176 0.91 TACR2 (0.40) TACR2TACR1ITGB1ITGA4ITGB7
SCHEMBL6812241 0.90 TACR2 (0.50) TACR2TACR1ITGB2ICAM1ITGAL
SCHEMBL6807420 0.90 ITGB2 (0.43) TACR2TACR1ITGB2ICAM1ITGAL
SCHEMBL6807866 0.89 ITGB2 (0.42) TACR2TACR1ITGB2ICAM1ITGAL
SCHEMBL6807651 0.88 TACR2 (0.42) TACR2TACR1ITGB2ICAM1ITGAL
SCHEMBL6806847 0.85 TACR2 (0.39) TACR2TACR1ITGB2ICAM1ITGAL
SCHEMBL6813132 0.84 TACR2 (0.38) TACR2TACR1ITGB2ICAM1ITGAL

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 TACR2 2639/4885TACR1 2733/4885ITGB2 59/4885

“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.