SCHEMBL1699376

SCHEMBL1699376

CC(C)(C)O[C@H](C(=O)O)c1c(CO)cc2ccccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
GPR84 Q9NQS5 4/20 0.43
PSIP1 O75475 1/20 0.43
LTB4R Q15722 1/20 0.38
PTGDR2 Q9Y5Y4 8/20 0.36
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARD Q03181 1/20 0.34

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
SCHEMBL1699403 1.00 CYP3A4 (0.46) CYP3A4GPR84PSIP1LTB4RPTGDR2
SCHEMBL1699617 0.94 CYP3A4 (0.46) CYP3A4GPR84PSIP1LTB4RPTGDR2
SCHEMBL1699282 0.92 CYP3A4 (0.44) CYP3A4GPR84PSIP1LTB4RPTGDR2
SCHEMBL15165157 0.92 GPR84 (0.41) CYP3A4GPR84PSIP1LTB4RPTGDR2
SCHEMBL1699343 0.91 CYP3A4 (0.44) CYP3A4GPR84PSIP1LTB4RPTGDR2
SCHEMBL1699473 0.90 CYP3A4 (0.43) CYP3A4GPR84PSIP1LTB4RPTGDR2
SCHEMBL1699344 0.90 CYP3A4 (0.43) CYP3A4GPR84PSIP1LTB4RPTGDR2
SCHEMBL10271584 0.89 GPR84 (0.39) CYP3A4GPR84PSIP1LTB4RPTGDR2
SCHEMBL1699278 0.87 CYP3A4 (0.49) CYP3A4GPR84PSIP1LTB4R
SCHEMBL1699246 0.87 CYP3A4 (0.49) CYP3A4GPR84PSIP1LTB4R

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 11 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
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-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US 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
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 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
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 2058/4885GPR84 2263/4885PSIP1 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.