SCHEMBL10272189

SCHEMBL10272189

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.56
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ MAPK14 Q16539 9/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PREP P48147 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CHRM4 P08173 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ CREBBP Q92793 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
SCHEMBL1699715 0.90 CYP3A4 (0.62) CYP3A4MAPK14CREBBP
SCHEMBL1699718 0.90 CYP3A4 (0.62) CYP3A4MAPK14CREBBP
SCHEMBL10272000 0.88 CYP3A4 (0.67) CYP3A4RAB9ANPC1CLK1MAPK14
SCHEMBL10271597 0.87 CYP3A4 (0.59) CYP3A4RAB9ANPC1CLK1MAPK14
SCHEMBL15099808 0.85 CYP3A4 (0.58) CYP3A4RAB9ANPC1CLK1MAPK14
SCHEMBL1701636 0.85 CYP3A4 (0.54) CYP3A4MAPK14CREBBP
SCHEMBL1699339 0.85 CYP3A4 (0.57) CYP3A4RAB9ANPC1MAPK14KMT2A
SCHEMBL15099656 0.84 CYP3A4 (0.56) CYP3A4RAB9ANPC1CLK1MAPK14
SCHEMBL1699741 0.83 CYP3A4 (0.68) CYP3A4MAPK14
SCHEMBL1699740 0.83 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 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 1722/4885RAB9A 580/4885NPC1 47/4885
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 CYP3A4 2058/4885RAB9A 2542/4885NPC1 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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