SCHEMBL1699295

SCHEMBL1699295

CCOC(=O)C(OC(C)(C)C)c1c(C)cc2c(Br)cccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
ALOX5 P09917 3/20 0.34
PTGES O14684 1/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 2/20 0.33
HPGD P15428 2/20 0.33
XBP1 P17861 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 5/20 0.33
LMNA P02545 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP19A1 P11511 1/20 0.33
PSIP1 O75475 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
ABCB11 O95342 1/20 0.33
TSHR P16473 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
SCHEMBL1699293 0.91 CYP3A4 (0.37) CYP3A4ALOX5PTGESALDH1A1CYP1A2
SCHEMBL1699413 0.89 CYP3A4 (0.45) CYP3A4PSIP1
SCHEMBL15165163 0.89 CYP3A4 (0.37) CYP3A4KMT2APSIP1
SCHEMBL1699650 0.87 CNR2 (0.37) CYP3A4ALOX5PTGESALDH1A1CYP1A2
SCHEMBL10271691 0.85 CYP3A4 (0.39) CYP3A4ALOX5PTGESALDH1A1CYP1A2
SCHEMBL1699707 0.83 CYP3A4 (0.39) CYP3A4ALOX5PTGESALDH1A1CYP1A2
SCHEMBL1699531 0.82 CYP3A4 (0.37) CYP3A4ALDH1A1CYP1A2HPGDMAPT
SCHEMBL15099647 0.82 CYP3A4 (0.37) CYP3A4ALDH1A1CYP1A2HPGDMAPT
SCHEMBL15099685 0.82 ADORA3 (0.37) ALOX5PTGESALDH1A1HPGDGAA
SCHEMBL1699594 0.82 PTGDR2 (0.40) CYP3A4ALDH1A1CYP1A2HPGDXBP1

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 2058/4885ALOX5 2567/4885PTGES 4155/4885

“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.