SCHEMBL10271810

SCHEMBL10271810

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

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.64
▸ NPC1 O15118 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MAPK14 Q16539 1/20 0.30
▸ NR1I2 O75469 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) CYP3A4NPC1CLK1RAB9AMAPK14
SCHEMBL15099682 0.93 CYP3A4 (0.57) CYP3A4NPC1CLK1RAB9A
SCHEMBL1699697 0.92 CYP3A4 (0.76) CYP3A4MAPK14NR1I2
SCHEMBL15153848 0.92 CYP3A4 (0.76) CYP3A4MAPK14NR1I2
SCHEMBL1699695 0.92 CYP3A4 (0.76) CYP3A4MAPK14NR1I2
SCHEMBL15165245 0.92 CYP3A4 (0.67) CYP3A4NR1I2
SCHEMBL16657261 0.91 CYP3A4 (0.69) CYP3A4NPC1CLK1RAB9AMAPK14
SCHEMBL10271808 0.91 CYP3A4 (0.64) CYP3A4NPC1CLK1RAB9AMAPK14
SCHEMBL15099764 0.90 CYP3A4 (0.58) CYP3A4NPC1CLK1RAB9A
SCHEMBL10272187 0.87 CYP3A4 (0.57) CYP3A4

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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