SCHEMBL1699394

SCHEMBL1699394

CCOC(=O)C(OCc1ccc(OC)cc1)c1c(C)cc2c(OC)cccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
POLB P06746 1/20 0.34
TBXAS1 P24557 1/20 0.34
KMT2A Q03164 3/20 0.33
ATM Q13315 2/20 0.33
GAA P10253 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
F2 P00734 1/20 0.32
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TP53 P04637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ACHE P22303 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
SCHEMBL1699303 0.91 TBXAS1 (0.33) TBXAS1KMT2AATMGAATDP1
SCHEMBL1699491 0.85 GAA (0.34) TBXAS1KMT2AGAAALDH1A1PPARG
SCHEMBL1699292 0.83 MAPT (0.34) POLBKMT2AGAATDP1ALDH1A1
SCHEMBL1699290 0.82 L3MBTL1 (0.38) TOP2ATOP2BPOLBTBXAS1KMT2A
SCHEMBL1699377 0.77 PTPN11 (0.37) KMT2AATMTDP1L3MBTL1ALDH1A1
SCHEMBL1699424 0.77 PTGDR2 (0.36) KMT2AMEN1MAPT
SCHEMBL16657253 0.75 MAPT (0.33) KMT2AATMMEN1HPGDNPSR1
SCHEMBL15099684 0.73 MAPT (0.32) MAPTHTT
SCHEMBL1699498 0.71 PSEN1 (0.44) POLBKMT2AATMGAATDP1
SCHEMBL18860768 0.70 MEN1 (0.33) KMT2APPARGPPARAMEN1

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 TOP2A 3556/4885TOP2B 4306/4885POLB 1157/4885

“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.