SCHEMBL1699307

SCHEMBL1699307

Cc1cc2cc(OS(=O)(=O)C(F)(F)F)ccc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
PSIP1 O75475 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.35
KCNH2 Q12809 1/20 0.34
CXCR2 P25025 2/20 0.32
HSD11B1 P28845 1/20 0.32
PPARG P37231 3/20 0.32
CXCR1 P25024 1/20 0.32
DHODH Q02127 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.31

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
SCHEMBL10271593 0.91 CYP3A4 (0.38) CYP3A4PSIP1PTGDR2CXCR2HSD11B1
SCHEMBL1699544 0.88 CYP3A4 (0.48) CYP3A4PSIP1DHODH
SCHEMBL1699571 0.87 PTGDR2 (0.37) CYP3A4PTGDR2CXCR2HSD11B1CXCR1
SCHEMBL1699452 0.86 CYP3A4 (0.50) CYP3A4PSIP1PTGDR2PPARGDHODH
SCHEMBL1699760 0.86 PTGDR2 (0.35) CYP3A4PTGDR2PPARGDHODH
SCHEMBL1701408 0.85 CYP3A4 (0.49) CYP3A4PSIP1DHODH
SCHEMBL1699287 0.84 CYP3A4 (0.47) CYP3A4PSIP1PTGDR2KCNH2PPARG
SCHEMBL1699396 0.84 PSIP1 (0.50) CYP3A4PSIP1DHODH
SCHEMBL18891830 0.82 PSIP1 (0.51) CYP3A4PSIP1DHODH
SCHEMBL15093682 0.82 CYP3A4 (0.36) CYP3A4PSIP1CXCR2HSD11B1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 EP disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
EP-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 CYP3A4 2058/4885PSIP1 3788/4885PTGDR2 3910/4885

“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.