SCHEMBL4248946

SCHEMBL4248946

COC(=O)[C@H](Cc1ccc(C#CCC(C)O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.51
CTSS P25774 7/20 0.47
CTSK P43235 6/20 0.47
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
ACE P12821 1/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
ACACB O00763 1/20 0.42
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL4199463 0.85 KLK5 (0.41) KLK5CTSSCTSKCTSBCTSL
SCHEMBL4196142 0.85 KLK5 (0.45) KLK5CTSSCTSKCTSBCTSL
SCHEMBL28472380 0.84 KLK5 (0.60) KLK5CTSSCTSKCTSBCTSL
SCHEMBL13651743 0.84 KLK5 (0.54) KLK5CTSSCTSKCTSBCTSL
SCHEMBL16183228 0.83 KLK5 (0.51) KLK5CTSSCTSKCTSBCTSL
SCHEMBL29721558 0.82 KLK5 (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL16377533 0.82 CTSS (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL16377532 0.82 CTSS (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL16935712 0.82 CTSS (0.58) KLK5CTSSCTSKCTSBCTSL
SCHEMBL18920552 0.82 CTSS (0.58) KLK5CTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 KLK5 2412/4885CTSS 3550/4885CTSK 4160/4885

“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.