SCHEMBL1699707

SCHEMBL1699707

CCOC(=O)C(OC(C)(C)C)c1c(C)c(Br)c2ccccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
MAPT P10636 6/20 0.36
KMT2A Q03164 6/20 0.36
LMNA P02545 5/20 0.36
MEN1 O00255 5/20 0.36
ALOX5 P09917 3/20 0.35
PTGES O14684 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
CYP1A2 P05177 2/20 0.35
XBP1 P17861 2/20 0.35
CYP2C19 P33261 1/20 0.35
ABCB11 O95342 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
PPARA Q07869 1/20 0.34
TP53 P04637 2/20 0.34
MDM2 Q00987 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL1699651 0.91 CYP3A4 (0.39) CYP3A4MAPTKMT2ALMNAMEN1
SCHEMBL1699699 0.90 CYP3A4 (0.41) CYP3A4MAPTKMT2ALMNAMEN1
SCHEMBL15165246 0.88 CYP3A4 (0.41) CYP3A4MAPTKMT2ALMNAMEN1
SCHEMBL1699716 0.88 CYP3A4 (0.49) CYP3A4MAPTKMT2ALMNA
SCHEMBL15165269 0.88 CYP3A4 (0.41) CYP3A4MAPTKMT2ALMNAMEN1
SCHEMBL1699586 0.88 CYP3A4 (0.49) CYP3A4MAPTKMT2ALMNA
SCHEMBL15165268 0.88 CYP3A4 (0.41) CYP3A4MAPTKMT2ALMNAMEN1
SCHEMBL1699725 0.88 CYP3A4 (0.49) CYP3A4MAPTKMT2ALMNA
SCHEMBL1699610 0.86 AR (0.38) CYP3A4MAPTKMT2ALMNAMEN1
SCHEMBL1699295 0.83 CYP3A4 (0.35) CYP3A4MAPTKMT2ALMNAMEN1

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 2058/4885MAPT 280/4885KMT2A 375/4885

“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.