SCHEMBL6807296

SCHEMBL6807296

COc1cccc(OC)c1C(=O)Nc1nc(=O)[nH]cc1CC(NC(=O)N1CCC(NC(=O)CC(C)C)(c2ccccc2)CC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.42
TACR1 P25103 3/20 0.42
ITGA4 P13612 4/20 0.34
ITGB7 P26010 3/20 0.34
KMT2A Q03164 2/20 0.34
DPP4 P27487 1/20 0.34
MEN1 O00255 1/20 0.34
ITGB1 P05556 2/20 0.33
P2RY12 Q9H244 1/20 0.33
ECE1 P42892 1/20 0.33
ITGB2 P05107 2/20 0.33
ICAM1 P05362 2/20 0.33
ITGAL P20701 2/20 0.33
SLC6A9 P48067 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6804225 0.92 TACR2 (0.50) TACR2TACR1ITGA4ITGB7KMT2A
SCHEMBL6807651 0.91 TACR2 (0.42) TACR2TACR1KMT2ADPP4MEN1
SCHEMBL6808146 0.91 TACR2 (0.41) TACR2TACR1ITGA4DPP4ITGB1
SCHEMBL6812559 0.90 TACR2 (0.41) TACR2TACR1ITGA4ITGB7KMT2A
SCHEMBL6801579 0.90 TACR2 (0.41) TACR2TACR1ITGA4ITGB7KMT2A
SCHEMBL6808176 0.88 TACR2 (0.40) TACR2TACR1ITGA4ITGB7ITGB1
SCHEMBL6807057 0.88 TACR2 (0.39) TACR2TACR1ITGA4ITGB7KMT2A
SCHEMBL6806435 0.88 TACR2 (0.40) TACR2TACR1ITGA4ITGB7KMT2A
SCHEMBL6808899 0.84 KMT2A (0.41) ITGA4KMT2AMEN1ITGB1P2RY12
SCHEMBL6802705 0.83 KMT2A (0.42) ITGA4KMT2AITGB1ITGB2ICAM1

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 2733/4885ITGA4 221/4885

“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.