SCHEMBL1699540

SCHEMBL1699540

Cc1c([C@@H](OC(C)(C)C)C(=O)O)c(-c2ccc3c4c(ccnc24)CCO3)c2ccccc2c1C(N)=O

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.75
▸ PSIP1 O75475 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ MAPK14 Q16539 3/20 0.32
▸ AURKA O14965 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ EDNRA P25101 1/20 0.31

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
SCHEMBL15153838 1.00 CYP3A4 (0.75) CYP3A4PSIP1NR1I2MAPK14AURKA
SCHEMBL1699547 1.00 CYP3A4 (0.75) CYP3A4PSIP1NR1I2MAPK14AURKA
SCHEMBL15165272 0.94 CYP3A4 (0.66) CYP3A4AURKARPS6KB1
SCHEMBL10271808 0.92 CYP3A4 (0.64) CYP3A4MAPK14AURKARPS6KB1
SCHEMBL15093207 0.92 CYP3A4 (0.79) CYP3A4PSIP1NR1I2MAPK14
SCHEMBL15093206 0.92 CYP3A4 (0.79) CYP3A4PSIP1NR1I2MAPK14
SCHEMBL15093270 0.92 CYP3A4 (0.79) CYP3A4PSIP1NR1I2MAPK14
SCHEMBL15099805 0.91 CYP3A4 (0.76) CYP3A4PSIP1NR1I2MAPK14AURKA
SCHEMBL15099573 0.91 CYP3A4 (0.76) CYP3A4PSIP1NR1I2MAPK14AURKA
SCHEMBL15099799 0.91 CYP3A4 (0.77) CYP3A4PSIP1NR1I2MAPK14

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 2058/4885PSIP1 3788/4885NR1I2 1990/4885

“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.

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