SCHEMBL10249595

SCHEMBL10249595

COC(=O)[C@H](Cc1cc(F)ccc1N=O)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.45
KLK5 Q9Y337 1/20 0.44
CTSS P25774 6/20 0.44
CTSK P43235 6/20 0.44
SCN9A Q15858 4/20 0.41
CYP3A4 P08684 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
CACNA1B Q00975 1/20 0.39
ACE P12821 1/20 0.38
PTPN1 P18031 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL269301 0.86 CTSS (0.51) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL269302 0.86 CTSS (0.51) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL30825582 0.85 TACR1 (0.49) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL30825581 0.84 TACR1 (0.48) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL31494602 0.84 CTSS (0.51) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL6832286 0.81 AAK1 (0.45) TACR1KLK5CTSSCTSKCACNA1B
SCHEMBL3771926 0.81 GSTP1 (0.52) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL29675128 0.79 CTSS (0.51) TACR1KLK5CTSSCTSKCTSL
SCHEMBL6832287 0.79 TACR1 (0.39) TACR1KLK5CTSSCTSKSCN9A
SCHEMBL25382593 0.78 CTSS (0.67) KLK5CTSSCTSKACENOS3

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-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B TACR1 3020/4885KLK5 1949/4885CTSS 1217/4885

“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.