SCHEMBL10271698

SCHEMBL10271698

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2cc(CC)c(F)cc2c1-c1ccc2c3c(ccnc13)CCO2

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.59
▸ NPC1 O15118 1/20 0.30
▸ CLK1 P49759 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL1699638 1.00 CYP3A4 (0.59) CYP3A4NPC1CLK1RAB9AMAPK14
SCHEMBL15153847 0.94 CYP3A4 (0.67) CYP3A4MAPK14
SCHEMBL1699492 0.94 CYP3A4 (0.67) CYP3A4MAPK14
SCHEMBL15153916 0.94 CYP3A4 (0.67) CYP3A4MAPK14
SCHEMBL15165226 0.94 CYP3A4 (0.60) CYP3A4MAPK14
SCHEMBL10271706 0.92 CYP3A4 (0.58) CYP3A4NPC1CLK1RAB9AMAPK14
SCHEMBL10271704 0.92 CYP3A4 (0.58) CYP3A4NPC1CLK1RAB9A
SCHEMBL10272109 0.92 CYP3A4 (0.58) CYP3A4NPC1CLK1RAB9A
SCHEMBL10272104 0.92 CYP3A4 (0.58) CYP3A4MAPK14
SCHEMBL15165304 0.91 CYP3A4 (0.57) CYP3A4NPC1RAB9A

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 2058/4885NPC1 19/4885CLK1 3855/4885

“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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