SCHEMBL1699706

SCHEMBL1699706

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.35
KMT2A Q03164 5/20 0.34
KDM4E B2RXH2 5/20 0.34
MAPK1 P28482 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 4/20 0.34
HPGD P15428 3/20 0.34
TP53 P04637 2/20 0.34
TLR9 Q9NR96 2/20 0.34
RAB9A P51151 2/20 0.34
BCL2A1 Q16548 1/20 0.34
LMNA P02545 3/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL10271716 1.00 HSD17B10 (0.35) HSD17B10MAPTSMN1; SMN2HTTKMT2A
SCHEMBL1699508 0.90 PSIP1 (0.35)
SCHEMBL15099649 0.89 MAPT (0.32) HSD17B10MAPTSMN1; SMN2HTTKMT2A
SCHEMBL15093787 0.89 MAPT (0.32) HSD17B10MAPTSMN1; SMN2HTTKMT2A
SCHEMBL15099765 0.89 MAPT (0.32) HSD17B10MAPTSMN1; SMN2HTTKMT2A
SCHEMBL1699646 0.88 PTGDR2 (0.35) HSD17B10HTTKMT2AKDM4EMAPK1
SCHEMBL16657253 0.88 MAPT (0.33) HSD17B10MAPTSMN1; SMN2HTTKMT2A
SCHEMBL15099743 0.87 MAPT (0.31) HSD17B10MAPTSMN1; SMN2HTTKMT2A
SCHEMBL15099650 0.87 SMN1; SMN2 (0.34) HSD17B10MAPTSMN1; SMN2HTTL3MBTL1
SCHEMBL15093279 0.87 SMN1; SMN2 (0.34) HSD17B10MAPTSMN1; SMN2HTTL3MBTL1

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 16 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

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 HSD17B10 268/4885MAPT 671/4885SMN1; SMN2 2614/4885
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 HSD17B10 1362/4885MAPT 280/4885SMN1; SMN2 2881/4885

“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.