SCHEMBL1699451

SCHEMBL1699451

Cc1cc2ccccc2c(-c2ccc(Cl)cc2)c1C(COC(=O)C(C)(C)C)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR84 Q9NQS5 2/20 0.36
CYP3A4 P08684 1/20 0.35
LTB4R Q15722 1/20 0.34
MAPT P10636 3/20 0.33
PSIP1 O75475 1/20 0.33
DHODH Q02127 1/20 0.32
TACR3 P29371 1/20 0.32
ALOX5 P09917 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
PTGES O14684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL15153915 1.00 NPC1 (0.36) NPC1RAB9ATDP1L3MBTL1GPR84
SCHEMBL1699430 1.00 NPC1 (0.36) NPC1RAB9ATDP1L3MBTL1GPR84
SCHEMBL15165281 0.88 KDM4E (0.34) GPR84CYP3A4MAPTALDH1A1KDM4E
SCHEMBL1699381 0.87 GPR84 (0.40) NPC1RAB9ATDP1L3MBTL1GPR84
SCHEMBL15153912 0.87 GPR84 (0.40) NPC1RAB9ATDP1L3MBTL1GPR84
SCHEMBL15153913 0.87 GPR84 (0.40) NPC1RAB9ATDP1L3MBTL1GPR84
SCHEMBL1699553 0.86 LMNA (0.36) L3MBTL1MAPTALDH1A1KDM4EGLA
SCHEMBL1699554 0.86 LMNA (0.36) L3MBTL1MAPTALDH1A1KDM4EGLA
SCHEMBL1699298 0.86 LMNA (0.36) L3MBTL1MAPTALDH1A1KDM4EGLA
SCHEMBL245640 0.85 CYP3A4 (0.35) NPC1RAB9ATDP1L3MBTL1CYP3A4

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 5 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-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US 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 NPC1 19/4885RAB9A 2542/4885TDP1 2665/4885

“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.