SCHEMBL16283136

SCHEMBL16283136

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)CC(O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.59
SYK P43405 1/20 0.58
ATM Q13315 1/20 0.56
CTRB1 P17538 2/20 0.55
PSEN1 P49768 3/20 0.52
PSEN2 P49810 3/20 0.52
APH1B Q8WW43 3/20 0.52
NCSTN Q92542 3/20 0.52
APH1A Q96BI3 3/20 0.52
PSENEN Q9NZ42 3/20 0.52
APP P05067 3/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
CTSS P25774 2/20 0.48
CTSB P07858 2/20 0.48
CTSL P07711 1/20 0.48
CTSK P43235 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47

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
SCHEMBL15159955 1.00 KLK5 (0.59) KLK5SYKATMCTRB1PSEN1
SCHEMBL7301095 0.93 ATM (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7299571 0.93 ATM (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7305946 0.93 ATM (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7270247 0.93 ATM (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL4950328 0.91 CTRB1 (0.65) CTRB1TRPM8CTSSCTSBCTSL
SCHEMBL7311171 0.90 CYP3A4 (0.59) KLK5SYKATMPSEN1PSEN2
SCHEMBL7305834 0.90 CYP3A4 (0.59) KLK5SYKATMPSEN1PSEN2
SCHEMBL7565435 0.90 CYP3A4 (0.59) KLK5SYKATMPSEN1PSEN2
SCHEMBL2436537 0.89 KLK5 (0.49) KLK5SYKATMCTRB1PSEN1

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-9346796-B2 Methods and intermediates for preparing pharmaceutical agents GILEAD SCIENCES, INC. (US) 2016-05-24 US disclosed
US-20140364602-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS GILEAD SCIENCES, INC. (US) 2014-12-11 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-20140364602-A1 METHODS AND INTERMEDIATES FOR PREPARING PHARMACEUTICAL AGENTS CYP2F1, UGT1A1, CYP3A7 KLK5 1436/4885SYK 2560/4885ATM 2338/4885

“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.