SCHEMBL10272000

SCHEMBL10272000

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.67
▸ MAPK14 Q16539 5/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PREP P48147 1/20 0.32
▸ MAPK1 P28482 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ EDNRA P25101 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
SCHEMBL10271597 0.94 CYP3A4 (0.59) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL15099808 0.93 CYP3A4 (0.58) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL15099671 0.92 CYP3A4 (0.60) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL1699485 0.91 CYP3A4 (0.80) CYP3A4MAPK14
SCHEMBL15165108 0.91 CYP3A4 (0.70) CYP3A4MAPK14
SCHEMBL1699486 0.91 CYP3A4 (0.80) CYP3A4MAPK14
SCHEMBL1699253 0.91 CYP3A4 (0.80) CYP3A4MAPK14
SCHEMBL16657239 0.91 CYP3A4 (0.70) CYP3A4MAPK14
SCHEMBL15099656 0.91 CYP3A4 (0.56) CYP3A4MAPK14NPC1CLK1RAB9A
SCHEMBL15099807 0.91 CYP3A4 (0.63) CYP3A4NPC1CLK1RAB9AKDM4E

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 10 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-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 — — US 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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 — — US disclosed
US-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2015-04-23 — — 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-2013103738-A1 NAPTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION GILEAD SCIENCES, INC. (US) 2013-07-11 — — WO 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 (2 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-20150111891-A1 NAPHTHALENE ACETIC ACID DERIVATIVES AGAINST HIV INFECTION NFATC1, ACIN1, NAAA CYP3A4 1722/4885MAPK14 2034/4885NPC1 47/4885
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 CYP3A4 2058/4885MAPK14 1344/4885NPC1 19/4885

“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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