SCHEMBL4066808

SCHEMBL4066808

COC(=O)[C@H](Cc1ccc(NC(=O)Cc2ccc3c(n2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 14/20 0.84
ITGB1 P05556 12/20 0.84
ITGA5 P08648 7/20 0.84
ITGB3 P05106 6/20 0.84
ITGB6 P18564 8/20 0.54
ITGA4 P13612 5/20 0.54
ITGA2 P17301 1/20 0.43
ITGB7 P26010 1/20 0.43

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
SCHEMBL8235238 0.92 ITGAV (0.72) ITGAVITGB1ITGA5ITGB3ITGB6
SCHEMBL4928182 0.91 ITGAV (1.00) ITGAVITGB1ITGA5ITGB3ITGB6
SCHEMBL8232413 0.91 ITGAV (1.00) ITGAVITGB1ITGA5ITGB3ITGB6
SCHEMBL4076675 0.86 ITGAV (0.73) ITGAVITGB1ITGA5ITGB3ITGB6
SCHEMBL22923219 0.85 ITGAV (0.71) ITGAVITGB1ITGA5ITGB3ITGB6
SCHEMBL4245277 0.85 ITGAV (0.85) ITGAVITGB1ITGA5ITGB3ITGB6
SCHEMBL18068348 0.84 ITGAV (0.85) ITGAVITGB1ITGA5ITGB3ITGB6
SCHEMBL4067993 0.83 ITGB1 (0.72) ITGAVITGB1ITGA5ITGB3ITGB6
SCHEMBL18067994 0.82 ITGAV (0.83) ITGAVITGB1ITGA5ITGB3ITGB6
SCHEMBL22923276 0.82 ITGB1 (0.60) ITGAVITGB1ITGA5ITGB3ITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 US disclosed
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 US disclosed
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO 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 (2 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGAV 17/4885ITGB1 2/4885ITGA5 7/4885
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE ITGB1, ITGA1, ITGAV ITGAV 3/4885ITGB1 1/4885ITGA5 15/4885

“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.