SCHEMBL1699591

SCHEMBL1699591

CCOC(=O)C=C(C)Cc1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1699588 1.00 PIK3CA (0.44) PIK3CASMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL15093309 0.81 KMT2A (0.47) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL15093310 0.81 KMT2A (0.47) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL28923911 0.78 PIK3CA (0.48) PIK3CASMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL13221596 0.76 CA2 (0.51) ALDH1A1MAPTNPSR1L3MBTL1MEN1
SCHEMBL4764526 0.75 PIK3CA (0.47) PIK3CATSHRALDH1A1MAPTKCNJ6
SCHEMBL15093697 0.75 CTBP2 (0.46) SMN1; SMN2ALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL15093699 0.75 CTBP2 (0.46) SMN1; SMN2ALDH1A1MAPTNPSR1L3MBTL1
SCHEMBL31353244 0.75 PRKCZ (0.39) SMN1; SMN2ALDH1A1MAPTNPSR1MEN1
SCHEMBL31353154 0.75 PRKCZ (0.39) SMN1; SMN2ALDH1A1MAPTNPSR1MEN1

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 8 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

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 PIK3CA 2901/4885SMN1; SMN2 2881/4885TSHR 4399/4885

“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.