SCHEMBL1699491

SCHEMBL1699491

CCOC(=O)C(OCc1ccc(OC)cc1)c1c(C)cc2cc(OC)ccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 2/20 0.34
EPHX2 P34913 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
TBXAS1 P24557 2/20 0.33
SLC2A1 P11166 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
SCHEMBL1699292 0.88 MAPT (0.34) GAAKMT2APPARGMAPTALDH1A1
SCHEMBL1699424 0.87 PTGDR2 (0.36) KMT2AMAPTAKR1C3AKR1C2
SCHEMBL1699394 0.85 TOP2A (0.34) GAAKMT2APPARGMAPTALDH1A1
SCHEMBL1699303 0.85 TBXAS1 (0.33) GAAKMT2APPARGMAPTALDH1A1
SCHEMBL15099649 0.76 MAPT (0.32) KMT2AMAPTHPGD
SCHEMBL15093787 0.76 MAPT (0.32) KMT2AMAPTHPGD
SCHEMBL1699736 0.76 PTPN11 (0.41) GAAKMT2APPARGMAPT
SCHEMBL15093163 0.75 HPGD (0.34) KMT2AMAPTALDH1A1HPGDLMNA
SCHEMBL15093279 0.75 SMN1; SMN2 (0.34) MAPTALDH1A1LMNA
SCHEMBL15099650 0.75 SMN1; SMN2 (0.34) MAPTALDH1A1LMNA

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 9 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-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 GAA 98/4885KMT2A 375/4885PPARG 3822/4885

“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.