Sugi Predict

Sugi Predict / Compounds / SCHEMBL4201174

SCHEMBL4201174

SCHEMBL4201174

COC(=O)[C@H](Cc1ccc(CCCC(C)O)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KLK5 Q9Y337 2/20 0.43
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ PSEN1 P49768 2/20 0.40
▸ PSEN2 P49810 2/20 0.40
▸ APH1B Q8WW43 2/20 0.40
▸ NCSTN Q92542 2/20 0.40
▸ APH1A Q96BI3 2/20 0.40
▸ PSENEN Q9NZ42 2/20 0.40
▸ CTSK P43235 6/20 0.37
▸ CTSS P25774 6/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ ITGB7 P26010 1/20 0.37
▸ MMP1 P03956 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ HDAC1 Q13547 2/20 0.37

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
SCHEMBL4197901 0.92 KLK5 (0.46) KLK5ITGB3ITGA2BPSEN1PSEN2
SCHEMBL8173159 0.89 KLK5 (0.47) KLK5ITGB3ITGA2BPSEN1PSEN2
SCHEMBL4067093 0.87 KLK5 (0.42) KLK5ITGB3ITGA2BCTSKCTSS
SCHEMBL8168094 0.86 KLK5 (0.49) KLK5ITGB3ITGA2BPSEN1PSEN2
SCHEMBL4929543 0.86 KLK5 (0.53) KLK5ITGB3ITGA2BPSEN1PSEN2
SCHEMBL16644979 0.83 KLK5 (0.45) KLK5ITGB3ITGA2BCTSKCTSS
SCHEMBL4205174 0.80 SUCNR1 (0.42) KLK5CTSKCTSSHDAC6HDAC1
SCHEMBL6560965 0.80 CTSS (0.46) KLK5ITGB3ITGA2BCTSKCTSS
SCHEMBL16645014 0.80 KLK5 (0.45) KLK5ITGB3ITGA2BCTSKCTSS
SCHEMBL8232460 0.80 KLK5 (0.45) KLK5ITGB3ITGA2BCTSKCTSS

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 10 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-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 — — US disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 — — US disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 — — US disclosed
WO-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 — — WO disclosed
WO-2008093065-A1 L-ALANINE DERIVATIVES AS α5βL ANTAGONISTS ASTRAZENECA AB (SE) 2008-08-07 — — WO 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 KLK5 2412/4885ITGB3 6/4885ITGA2B 3/4885
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGAL KLK5 2857/4885ITGB3 12/4885ITGA2B 1/4885

“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.