SCHEMBL1699561

SCHEMBL1699561

CCOC(=O)C(=O)c1c(C)cc2ccccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KMT2A Q03164 6/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 3/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CES2 O00748 1/20 0.35
ACHE P22303 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 3/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
BCL2A1 Q16548 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL15093188 0.88 CES2 (0.35) KDM4ENPSR1KMT2AMAPK1MAPT
SCHEMBL15093441 0.86 ALDH1A1 (0.37) KDM4ENPSR1KMT2AL3MBTL1MAPK1
SCHEMBL10272118 0.86 PTGDR2 (0.36) KDM4EKMT2AMAPTALDH1A1TSHR
SCHEMBL1699433 0.86 ALDH1A1 (0.39) KDM4ENPSR1KMT2AMAPK1ATM
SCHEMBL15093518 0.85 MAPT (0.39) KDM4ENPSR1KMT2AMAPK1HTT
SCHEMBL10272178 0.84
SCHEMBL1699288 0.84 HTT (0.34) KDM4ENPSR1KMT2AL3MBTL1HTT
SCHEMBL15093753 0.83 ALDH1A1 (0.37) KDM4ENPSR1KMT2AMAPK1HTT
SCHEMBL1699421 0.81 ALDH1A1 (0.32) ALDH1A1HPGD
SCHEMBL1699605 0.81 ALDH1A1 (0.36) KDM4ENPSR1KMT2AMAPK1HTT

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 17 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-9284323-B2 Naphthalene acetic acid derivatives against HIV infection GILEAD SCIENCES, INC. (US) 2016-03-15 US 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-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-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
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
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 (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 KDM4E 2881/4885NPSR1 1848/4885KMT2A 2999/4885
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 KDM4E 2251/4885NPSR1 505/4885KMT2A 375/4885

“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.