SCHEMBL1699533

SCHEMBL1699533

Cc1cc2ccc(Cl)cc2c(OS(=O)(=O)C(F)(F)F)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
PTGDR2 Q9Y5Y4 9/20 0.35
PSIP1 O75475 1/20 0.34
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL15093682 0.92 CYP3A4 (0.36) CYP3A4PSIP1PPARGPPARATSHR
SCHEMBL1699499 0.90 PTGDR2 (0.35) PTGDR2ALDH1A1MAPT
SCHEMBL1699508 0.86 PSIP1 (0.35) CYP3A4PSIP1
SCHEMBL1699500 0.86 PSIP1 (0.32) CYP3A4PSIP1
SCHEMBL15093291 0.83 PSIP1 (0.39) CYP3A4PSIP1HSD11B1ALDH1A1
SCHEMBL15099743 0.82 MAPT (0.31) CYP3A4PTGDR2HSD11B1ALDH1A1MAPT
SCHEMBL1699721 0.82 PSIP1 (0.32) PSIP1
SCHEMBL10272114 0.82 PSIP1 (0.32) PSIP1
SCHEMBL15093492 0.82 PSIP1 (0.34) PSIP1HSD11B1
SCHEMBL1699474 0.81 PSIP1 (0.32) PSIP1

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 2058/4885PTGDR2 3910/4885PSIP1 3788/4885

“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.