SCHEMBL10271808

SCHEMBL10271808

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)c(C(N)=O)c2ccccc2c1-c1ccc2c3c(ccnc13)CCO2

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.64
▸ AURKA O14965 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ MAPK14 Q16539 3/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ CLK1 P49759 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL15099672 0.93 CYP3A4 (0.67) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL15153838 0.92 CYP3A4 (0.75) CYP3A4AURKARPS6KB1MAPK14
SCHEMBL15165272 0.92 CYP3A4 (0.66) CYP3A4AURKARPS6KB1
SCHEMBL1699540 0.92 CYP3A4 (0.75) CYP3A4AURKARPS6KB1MAPK14
SCHEMBL1699547 0.92 CYP3A4 (0.75) CYP3A4AURKARPS6KB1MAPK14
SCHEMBL16657261 0.91 CYP3A4 (0.69) CYP3A4AURKARPS6KB1MAPK14NPC1
SCHEMBL10271810 0.91 CYP3A4 (0.64) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL15099807 0.87 CYP3A4 (0.63) CYP3A4AURKARPS6KB1NPC1CLK1
SCHEMBL10272000 0.87 CYP3A4 (0.67) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL15093513 0.86 CYP3A4 (0.68) CYP3A4MAPK14

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 7 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-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 2058/4885AURKA 1961/4885RPS6KB1 1848/4885

“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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