SCHEMBL1699681

SCHEMBL1699681

Cc1c(C(OC(C)(C)C)C(=O)O)c(-c2ccc(Cl)cc2)c2ccccc2c1CO

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
PSIP1 O75475 1/20 0.41
AR P10275 1/20 0.34
LTB4R Q15722 1/20 0.34
PTGES2 Q9H7Z7 4/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CYP19A1 P11511 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PTGES O14684 2/20 0.33
TBXAS1 P24557 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GCGR P47871 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
SCHEMBL1699677 0.93 CYP3A4 (0.48) CYP3A4PSIP1ARPTGES2KCNH2
SCHEMBL15165253 0.91 CYP3A4 (0.40) CYP3A4PSIP1ARLTB4RPTGES2
SCHEMBL1699524 0.91 CYP3A4 (0.46) CYP3A4PSIP1ARKCNH2
SCHEMBL10271608 0.90 CYP3A4 (0.53) CYP3A4PSIP1PTGES2KCNH2KMT2A
SCHEMBL1699493 0.89 CYP3A4 (0.52) CYP3A4PSIP1PTGES2KCNH2KMT2A
SCHEMBL1699506 0.89 CYP3A4 (0.52) CYP3A4PSIP1LTB4RPTGES2KMT2A
SCHEMBL1699552 0.87 CYP3A4 (0.44) CYP3A4PSIP1
SCHEMBL1699586 0.86 CYP3A4 (0.49) CYP3A4PSIP1PTGES2KCNH2KMT2A
SCHEMBL1699725 0.86 CYP3A4 (0.49) CYP3A4PSIP1PTGES2KCNH2KMT2A
SCHEMBL1699716 0.86 CYP3A4 (0.49) CYP3A4PSIP1PTGES2KCNH2KMT2A

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 2058/4885PSIP1 3788/4885AR 1920/4885

“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.