SCHEMBL1699367

SCHEMBL1699367

Cc1cc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
PSIP1 O75475 1/20 0.44
DHODH Q02127 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.35
MCL1 Q07820 1/20 0.34
AKR1B10 O60218 1/20 0.34
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 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
SCHEMBL15165194 0.92 CYP3A4 (0.39) CYP3A4PSIP1DHODHMEN1KMT2A
SCHEMBL1699777 0.91 CYP3A4 (0.50) CYP3A4PSIP1PTGDR2
SCHEMBL10271610 0.90 CYP3A4 (0.49) CYP3A4PSIP1PTGDR2
SCHEMBL1699335 0.89 PSIP1 (0.50) CYP3A4PSIP1DHODHPTGDR2
SCHEMBL1699531 0.89 CYP3A4 (0.37) CYP3A4PSIP1DHODHMEN1KMT2A
SCHEMBL15099647 0.89 CYP3A4 (0.37) CYP3A4PSIP1DHODHMEN1KMT2A
SCHEMBL10271607 0.88 CYP3A4 (0.47) CYP3A4PSIP1PTGDR2
SCHEMBL10271802 0.87 CYP3A4 (0.46) CYP3A4PSIP1PTGDR2
SCHEMBL18892119 0.87 CYP3A4 (0.38) CYP3A4PSIP1
SCHEMBL1699278 0.86 CYP3A4 (0.49) CYP3A4PSIP1

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 CYP3A4 2058/4885PSIP1 3788/4885DHODH 1163/4885

“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.