SCHEMBL1699651

SCHEMBL1699651

COC(=O)C(OC(C)(C)C)c1c(C)c(Br)c2ccccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 4/20 0.35
ERAP1 Q9NZ08 1/20 0.35
TACR3 P29371 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PSIP1 O75475 1/20 0.33
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
ALOX5 P09917 2/20 0.32
TP53 P04637 1/20 0.32
PTGES O14684 1/20 0.32
PLA2G2A P14555 1/20 0.32
MEN1 O00255 3/20 0.32
MAPT P10636 2/20 0.32
GRM5 P41594 1/20 0.31
LMNA P02545 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
SCHEMBL1699707 0.91 CYP3A4 (0.39) CYP3A4KMT2AALOX5TP53PTGES
SCHEMBL15165269 0.89 CYP3A4 (0.41) CYP3A4KMT2AERAP1PSIP1HSP90AA1
SCHEMBL1699716 0.89 CYP3A4 (0.49) CYP3A4KMT2AERAP1PSIP1HSP90AA1
SCHEMBL15165246 0.89 CYP3A4 (0.41) CYP3A4KMT2AERAP1PSIP1HSP90AA1
SCHEMBL1699586 0.89 CYP3A4 (0.49) CYP3A4KMT2AERAP1PSIP1HSP90AA1
SCHEMBL1699725 0.89 CYP3A4 (0.49) CYP3A4KMT2AERAP1PSIP1HSP90AA1
SCHEMBL15165268 0.89 CYP3A4 (0.41) CYP3A4KMT2AERAP1PSIP1HSP90AA1
SCHEMBL1699641 0.86 ERAP1 (0.35) CYP3A4KMT2AERAP1TACR3SLC6A4
SCHEMBL1699757 0.83 SLC6A4 (0.36) KMT2AERAP1TACR3SLC6A4SLC6A3
SCHEMBL1699579 0.83 SLC6A4 (0.36) KMT2AERAP1TACR3SLC6A4SLC6A3

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 11 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
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
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
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 2058/4885KMT2A 375/4885ERAP1 1960/4885

“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.