SCHEMBL1699279

SCHEMBL1699279

Cc1cc2ccccc2c(-c2ccc(Cl)cc2Cl)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
PSIP1 O75475 1/20 0.36
GRM2 Q14416 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
CRHR1 P34998 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
DPP4 P27487 1/20 0.34
GUSB P08236 1/20 0.34
CTSA P10619 1/20 0.33

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
SCHEMBL10272106 1.00 CYP3A4 (0.41) CYP3A4KDM4EMAPK1PSIP1GRM2
SCHEMBL15171356 0.93 CYP3A4 (0.42) CYP3A4PSIP1GRM2GPR84PPARG
SCHEMBL15165161 0.92 CNR1 (0.35) CYP3A4KDM4EMAPK1GRM2GPR84
SCHEMBL1699246 0.86 CYP3A4 (0.49) CYP3A4PSIP1GPR84
SCHEMBL1699278 0.86 CYP3A4 (0.49) CYP3A4PSIP1GPR84
SCHEMBL15171374 0.86 CYP3A4 (0.43) CYP3A4PSIP1
SCHEMBL244231 0.83 PSIP1 (0.40) CYP3A4KDM4EMAPK1PSIP1CNR1
SCHEMBL244230 0.83 PSIP1 (0.40) CYP3A4KDM4EMAPK1PSIP1CNR1
SCHEMBL10271781 0.82 CYP3A4 (0.40) CYP3A4PSIP1
SCHEMBL10272100 0.82 CRHR1 (0.36) CYP3A4KDM4EMAPK1GPR84CNR1

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 2058/4885KDM4E 2251/4885MAPK1 449/4885

“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.