SCHEMBL10271691

SCHEMBL10271691

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
GPR84 Q9NQS5 1/20 0.38
ALOX5 P09917 3/20 0.37
PTGES O14684 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 2/20 0.37
XBP1 P17861 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
PSIP1 O75475 1/20 0.36
KDM4E B2RXH2 4/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CSF1R P07333 1/20 0.35
FPR1 P21462 1/20 0.35

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
SCHEMBL1699594 0.91 PTGDR2 (0.40) CYP3A4ALDH1A1HPGDCYP1A2XBP1
SCHEMBL10271584 0.90 GPR84 (0.39) CYP3A4GPR84ALOX5PTGESALDH1A1
SCHEMBL15165289 0.89 PSIP1 (0.39) CYP3A4ALDH1A1HPGDCYP1A2MAPT
SCHEMBL1699246 0.88 CYP3A4 (0.49) CYP3A4GPR84MAPTPSIP1TP53
SCHEMBL15165106 0.88 CYP3A4 (0.41) CYP3A4GPR84MAPTKMT2APSIP1
SCHEMBL1699278 0.88 CYP3A4 (0.49) CYP3A4GPR84MAPTPSIP1TP53
SCHEMBL10271696 0.88 CYP3A4 (0.37) CYP3A4GPR84ALOX5PTGESALDH1A1
SCHEMBL10271579 0.88 CYP3A4 (0.37) CYP3A4GPR84ALOX5PTGESALDH1A1
SCHEMBL1699293 0.88 CYP3A4 (0.37) CYP3A4ALOX5PTGESALDH1A1HPGD
SCHEMBL10272170 0.87 CYP3A4 (0.38) CYP3A4GPR84ALOX5PTGESALDH1A1

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 6 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-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
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 2263/4885ALOX5 2567/4885

“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.