SCHEMBL1699571

SCHEMBL1699571

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.37
HSD11B1 P28845 1/20 0.34
DHODH Q02127 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CXCR2 P25025 2/20 0.32
CXCR1 P25024 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
CTRC Q99895 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
SCHEMBL10272102 0.91 PTGDR2 (0.37) PTGDR2HSD11B1CYP3A4ADORA1
SCHEMBL1699307 0.87 CYP3A4 (0.45) PTGDR2HSD11B1DHODHCYP3A4CXCR2
SCHEMBL1699760 0.84 PTGDR2 (0.35) PTGDR2DHODHCYP3A4CTRC
SCHEMBL10271593 0.82 CYP3A4 (0.38) PTGDR2HSD11B1KDM4ECYP3A4ADORA1
SCHEMBL1699442 0.80 PPARG (0.34) PTGDR2HTR2C
SCHEMBL18860758 0.78 PTGDR2 (0.37) PTGDR2HSD11B1DHODHADORA2AADORA1
SCHEMBL18860757 0.78 PTGDR2 (0.37) PTGDR2HSD11B1DHODHADORA2AADORA1
SCHEMBL1699441 0.78 PTGDR2 (0.37) PTGDR2HSD11B1DHODHCYP3A4ADORA1
SCHEMBL1699400 0.74 KDM4E (0.41) DHODHKDM4ENPC1RAB9A
SCHEMBL1699761 0.74 PTGDR2 (0.36) PTGDR2KDM4E

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 PTGDR2 3910/4885HSD11B1 747/4885DHODH 1163/4885

“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.