SCHEMBL1699703

SCHEMBL1699703

CCOC(=O)C(=O)c1c(C)c(Br)c2ccccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CES2 O00748 3/20 0.35
ACHE P22303 3/20 0.35
CES1 P23141 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 1/20 0.33
ATM Q13315 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
SCHEMBL15093753 0.90 ALDH1A1 (0.37) KMT2AMEN1HTTTSHRMAPT
SCHEMBL1699605 0.88 ALDH1A1 (0.36) KMT2AMEN1HTTTSHRMAPT
SCHEMBL15093518 0.87 MAPT (0.39) KMT2AMEN1HTTTSHRMAPT
SCHEMBL1699288 0.82 HTT (0.34) KMT2AMEN1HTTTSHRMAPT
SCHEMBL1699561 0.80 KDM4E (0.40) KMT2AMEN1HTTTSHRMAPT
SCHEMBL15165314 0.79 MAPT (0.38) KMT2AMEN1HTTTSHRMAPT
SCHEMBL1699539 0.79 MAPT (0.38) KMT2AMEN1HTTTSHRMAPT
SCHEMBL15165315 0.76 MAPT (0.35) KMT2AMEN1HTTTSHRMAPT
SCHEMBL1699726 0.76 MAPT (0.35) KMT2AMEN1HTTTSHRMAPT
SCHEMBL15093441 0.75 ALDH1A1 (0.37) KMT2AMEN1HTTMAPTALDH1A1

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 KMT2A 375/4885MEN1 4061/4885HTT 1843/4885

“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.