SCHEMBL3995348

SCHEMBL3995348

COC(=O)[C@@H](Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.50
CTSK P43235 4/20 0.50
KLK5 Q9Y337 1/20 0.50
ECE1 P42892 2/20 0.47
CTSB P07858 1/20 0.45
BCL2 P10415 1/20 0.45
NOS2 P35228 3/20 0.45
CTSL P07711 1/20 0.45
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
ACE P12821 1/20 0.43
CDK2 P24941 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
SCHEMBL16095397 0.91 KLK5 (0.51) CTSSCTSKKLK5CTSBNOS2
SCHEMBL16095400 0.91 KLK5 (0.51) CTSSCTSKKLK5CTSBNOS2
SCHEMBL4832114 0.90 CTSS (0.47) CTSSCTSKKLK5ECE1CTSB
SCHEMBL4832110 0.90 CTSS (0.47) CTSSCTSKKLK5ECE1CTSB
SCHEMBL4831502 0.88 KLK5 (0.48) CTSSCTSKKLK5CTSBBCL2
SCHEMBL4833191 0.88 KLK5 (0.48) CTSSCTSKKLK5CTSBBCL2
SCHEMBL14885705 0.87 CTSS (0.54) CTSSCTSKKLK5CTSBBCL2
SCHEMBL14885702 0.87 CTSS (0.54) CTSSCTSKKLK5CTSBBCL2
SCHEMBL2262214 0.84 KLK5 (0.51) CTSSCTSKKLK5CTSBNOS2
SCHEMBL31758542 0.84 KLK5 (0.51) CTSSCTSKKLK5CTSBNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 CTSS 459/4885CTSK 342/4885KLK5 597/4885

“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.