SCHEMBL15099741

SCHEMBL15099741

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)c(F)c2cc(C#N)ccc2c1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
ADORA3 P0DMS8 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
PDE5A O76074 1/20 0.32
EPAS1 Q99814 1/20 0.31
STAT3 P40763 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
EGLN2 Q96KS0 2/20 0.30
EGLN1 Q9GZT9 2/20 0.30
TRPV4 Q9HBA0 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CXCR2 P25025 1/20 0.30

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
SCHEMBL15093192 0.89 SLCO1B1 (0.36) CNR2EGLN2EGLN1L3MBTL1
SCHEMBL15099681 0.86 MAPT (0.34) ADORA3L3MBTL1
SCHEMBL15099749 0.84 ALDH1A1 (0.38)
SCHEMBL15099630 0.83 EPAS1 (0.34) CNR2EPAS1TRPV4
SCHEMBL1699692 0.82 ADORA3 (0.42) ADORA3L3MBTL1
SCHEMBL15099726 0.74 PTPN11 (0.32) ADORA3
SCHEMBL15093265 0.73 SLCO1B1 (0.33) EPAS1
SCHEMBL15093252 0.72 CYP3A4 (0.40) PTGS1PTGS2
SCHEMBL1699756 0.71 ADORA3 (0.42) ADORA3L3MBTL1
SCHEMBL15099680 0.69 MAPT (0.31) HTT

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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 US disclosed
WO-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 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 (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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA CNR2 1449/4885ADORA3 182/4885PDCD1 422/4885

“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.