SCHEMBL1699424

SCHEMBL1699424

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.36
MAPT P10636 4/20 0.35
RXFP1 Q9HBX9 2/20 0.35
CCR2 P41597 1/20 0.35
ALOX15 P16050 1/20 0.35
CNR1 P21554 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
MCL1 Q07820 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL1699491 0.87 GAA (0.34) MAPTKMT2AAKR1C3AKR1C2
SCHEMBL1699600 0.82 MEN1 (0.40) MAPTCCR2ALOX15CNR1MEN1
SCHEMBL1699415 0.80 PTGDR2 (0.41) PTGDR2MAPTRXFP1CCR2ALOX15
SCHEMBL1699292 0.79 MAPT (0.34) MAPTRXFP1MEN1KMT2ASMN1; SMN2
SCHEMBL18860761 0.78 CCR2 (0.36) PTGDR2RXFP1CCR2MEN1KMT2A
SCHEMBL1699478 0.77 CCR2 (0.39) CCR2ALOX15MEN1KMT2ASMN1; SMN2
SCHEMBL1699394 0.77 TOP2A (0.34) MAPTMEN1KMT2A
SCHEMBL15099743 0.76 MAPT (0.31) PTGDR2MAPTALOX15CNR1KMT2A
SCHEMBL1699303 0.76 TBXAS1 (0.33) MAPTMEN1KMT2A
SCHEMBL1699312 0.76 ALOX15 (0.39) CCR2ALOX15MEN1KMT2ASMN1; SMN2

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 PTGDR2 3910/4885MAPT 280/4885RXFP1 3090/4885

“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.