SCHEMBL4516203

SCHEMBL4516203

COC(=O)C(N)Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.57
ITGA4 P13612 19/20 0.57
ITGA2 P17301 1/20 0.56
ITGB7 P26010 1/20 0.56
KMT2A Q03164 1/20 0.50

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
SCHEMBL7101344 1.00 ITGB1 (0.57) ITGB1ITGA4ITGA2ITGB7KMT2A
SCHEMBL4516205 1.00 ITGB1 (0.57) ITGB1ITGA4ITGA2ITGB7KMT2A
Hydrochloric Acid SCHEMBL5260907 0.99 ITGB1 (0.56) ITGB1ITGA4ITGA2ITGB7
Hydrochloric Acid SCHEMBL5259160 0.99 ITGB1 (0.56) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6639808 0.93 ITGB1 (0.63) ITGB1ITGA4ITGA2ITGB7
Hydrochloric Acid SCHEMBL6639802 0.92 ITGB1 (0.62) ITGB1ITGA4ITGA2ITGB7
SCHEMBL18594974 0.92 ITGB1 (0.57) ITGB1ITGA4ITGA2ITGB7
SCHEMBL27682875 0.91 ITGB1 (0.49) ITGB1ITGA4ITGA2ITGB7
SCHEMBL27682876 0.91 ITGB1 (0.49) ITGB1ITGA4ITGA2ITGB7
SCHEMBL4514318 0.88 ITGB1 (0.61) ITGB1ITGA4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 US disclosed
EP-2806897-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 HOFFMANN LA ROCHE (CH) 2017-08-02 EP disclosed
EP-2806899-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 HOFFMANN LA ROCHE (CH) 2016-10-19 EP disclosed
US-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN-LA ROCHE INC. 2015-01-29 US disclosed
WO-2013110679-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
WO-2013110578-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING ALPHA-V-BETA-3 F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
WO-2013110681-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
WO-2013110680-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 F. HOFFMANN-LA ROCHE AG (CH) 2013-08-01 WO disclosed
US-7618983-B2 Bicyclic triazole α4 integrin inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2009-11-17 US disclosed
CN-100536839-C Urea derivatives as integrin alpha 4 antagonists ALMIRALL PRODESFARMA SA (ES) 2009-09-09 CN disclosed
CN-100369888-C N-alkanoylphenylalanine derivatives HOFFMANN LA ROCHE (CH) 2008-02-20 CN disclosed
WO-2006090234-A1 HETEROCYCLIC DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 WO disclosed
US-20060128748-A1 Bicyclic triazole alpha4 integrin inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2006-06-15 US disclosed
WO-2006052962-A2 BICYCLIC TRIAZOLE A4 INTEGRIN INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-05-18 WO disclosed
CN-1531425-A Urea derivatives as integrin alpha 4 antagonists ������ҩ�����޹�˾ 2004-09-22 CN disclosed
CN-1281430-A N-alkanoylphenylalanine derivatives HOFFMANN LA ROCHE (CH) 2001-01-24 CN 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 (3 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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGB4 ITGB1 1/4885ITGA4 2/4885ITGA2 9/4885
US-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 ITGAV, ITGA1, ITGA4 ITGB1 6/4885ITGA4 3/4885ITGA2 4/4885
US-20060128748-A1 Bicyclic triazole alpha4 integrin inhibitors ITGA4, ITGB4, ITGB5 ITGB1 6/4885ITGA4 1/4885ITGA2 13/4885

“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.