SCHEMBL1699579

SCHEMBL1699579

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TACR3 P29371 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 2/20 0.34
PLA2G2A P14555 1/20 0.34
PTGES O14684 1/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MDM2 Q00987 1/20 0.33
PRKCZ Q05513 1/20 0.33
NOS2 P35228 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
SCHEMBL1699757 1.00 SLC6A4 (0.36) SLC6A4SLC6A3TACR3KMT2AMEN1
SCHEMBL1699629 1.00 SLC6A4 (0.36) SLC6A4SLC6A3TACR3KMT2AMEN1
SCHEMBL1699651 0.83 CYP3A4 (0.39) SLC6A4SLC6A3TACR3KMT2AMEN1
SCHEMBL1699641 0.80 ERAP1 (0.35) SLC6A4SLC6A3TACR3KMT2AMEN1
SCHEMBL1699550 0.77 CCNB2 (0.33) KMT2A
SCHEMBL15165269 0.76 CYP3A4 (0.41) KMT2AMEN1GAATP53LMNA
SCHEMBL1699586 0.76 CYP3A4 (0.49) KMT2AGAALMNAMAPTERAP1
SCHEMBL15165268 0.76 CYP3A4 (0.41) KMT2AMEN1GAATP53LMNA
SCHEMBL1699716 0.76 CYP3A4 (0.49) KMT2AGAALMNAMAPTERAP1
SCHEMBL1699725 0.76 CYP3A4 (0.49) KMT2AGAALMNAMAPTERAP1

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 SLC6A4 848/4885SLC6A3 538/4885TACR3 3497/4885

“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.