SCHEMBL15423693

SCHEMBL15423693

CC[C@H](Cc1cccc(N)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
SYK P43405 1/20 0.50
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
CTSB P07858 4/20 0.46
CTSL P07711 2/20 0.45
APP P05067 4/20 0.44
ACE P12821 1/20 0.44
KLK5 Q9Y337 1/20 0.43
CA2 P00918 1/20 0.43
SLC7A5 Q01650 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
SCHEMBL18428026 0.88 ATM (0.54) ATMSYKCTSSCTSKCTSB
SCHEMBL14421708 0.88 ATM (0.54) ATMSYKCTSSCTSKCTSB
SCHEMBL18480443 0.87 ATM (0.50) ATMCTSSCTSKCTSBCTSL
SCHEMBL3073448 0.85 CTSS (0.47) ATMCTSSCTSKCTSBCTSL
SCHEMBL8370126 0.84 ATM (0.71) ATMSYKCTSSCTSKCTSB
SCHEMBL4781275 0.84 ATM (0.71) ATMSYKCTSSCTSKCTSB
SCHEMBL23273192 0.82 ACE (0.64) CTSSCTSKCTSBCTSLAPP
SCHEMBL31689508 0.82 CTSS (0.54) ATMCTSSCTSKCTSBCTSL
SCHEMBL23273193 0.82 ACE (0.64) CTSSCTSKCTSBCTSLAPP
SCHEMBL31407446 0.82 ACE (0.64) CTSSCTSKCTSBCTSLAPP

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-9187415-B2 Sulfonamides as HIV protease inhibitors MERCK CANADA INC. (CA) 2015-11-17 US disclosed
US-20140018326-A1 SULFONAMIDES AS HIB PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-01-16 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-20140018326-A1 SULFONAMIDES AS HIB PROTEASE INHIBITORS PRSS1, PRSS3, PRSS2 ATM 3994/4885SYK 4023/4885CTSS 69/4885

“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.