SCHEMBL4919793

SCHEMBL4919793

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.51
ITGA4 P13612 10/20 0.51
ITGB7 P26010 2/20 0.51
ITGA2 P17301 1/20 0.51
NOS2 P35228 7/20 0.50
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50
ITGA5 P08648 2/20 0.47

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
SCHEMBL3819618 0.86 TSHR (0.57) ITGB1ITGA4ITGB7ITGA2NOS2
SCHEMBL4928013 0.86 ITGB1 (0.54) ITGB1ITGA4ITGB7ITGA2NOS2
SCHEMBL13726463 0.86 ATM (0.59) ITGB1ITGA4ITGB7ITGA2NOS2
SCHEMBL8227052 0.86 TSHR (0.57) ITGB1ITGA4ITGB7ITGA2NOS2
SCHEMBL5786216 0.86 TSHR (0.57) ITGB1ITGA4ITGB7ITGA2NOS2
SCHEMBL297398 0.86 ATM (0.61) ITGB1ITGA4ITGB7ITGA2NOS2
SCHEMBL5783896 0.86 ITGA4 (0.57) ITGB1ITGA4ITGB7
SCHEMBL1324020 0.85 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2NOS2
SCHEMBL4067300 0.85 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2NOS2
SCHEMBL295783 0.85 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGB1 2/4885ITGA4 27/4885ITGB7 28/4885

“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.