SCHEMBL1699381

SCHEMBL1699381

Cc1cc2ccccc2c(-c2ccc(Cl)cc2)c1[C@H](O)COC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 1/20 0.36
LTB4R Q15722 1/20 0.35
MAPT P10636 3/20 0.35
ALOX5 P09917 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
PTGES O14684 1/20 0.33
TACR3 P29371 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL15153912 1.00 GPR84 (0.40) GPR84NPC1RAB9ATDP1L3MBTL1
SCHEMBL15153913 1.00 GPR84 (0.40) GPR84NPC1RAB9ATDP1L3MBTL1
SCHEMBL15153915 0.87 NPC1 (0.36) GPR84NPC1RAB9ATDP1L3MBTL1
SCHEMBL1699430 0.87 NPC1 (0.36) GPR84NPC1RAB9ATDP1L3MBTL1
SCHEMBL1699451 0.87 NPC1 (0.36) GPR84NPC1RAB9ATDP1L3MBTL1
SCHEMBL15165280 0.87 KDM4E (0.35) GPR84MAPTALDH1A1KDM4EGLA
SCHEMBL1699686 0.85 KDM4E (0.37) L3MBTL1MAPTALDH1A1KDM4EGLA
SCHEMBL15153899 0.85 KDM4E (0.37) L3MBTL1MAPTALDH1A1KDM4EGLA
SCHEMBL15153900 0.85 KDM4E (0.37) L3MBTL1MAPTALDH1A1KDM4EGLA
SCHEMBL245533 0.84 RAB9A (0.38) NPC1RAB9ATDP1L3MBTL1MAPT

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-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-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
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
CN-103140474-A Naphthalen-2-ylacetic acid derivatives for the treatment of AIDS GILEAD SCIENCES INC 2013-06-05 CN disclosed
EP-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 EP 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 GPR84 2263/4885NPC1 19/4885RAB9A 2542/4885

“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.