SCHEMBL3295273

SCHEMBL3295273

COCc1ccc2c(-c3ccc(Cl)cc3)c([C@H](OC(C)(C)C)C(=O)O)c(C)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.47
CYP3A4 P08684 2/20 0.45
DHODH Q02127 4/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
PLA2G2A P14555 1/20 0.32
KCNH2 Q12809 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
SCHEMBL15182565 0.93 PSIP1 (0.39) PSIP1CYP3A4DHODHPTGS2KDM4E
SCHEMBL245450 0.91 PSIP1 (0.45) PSIP1CYP3A4DHODHKDM4EALOX5
SCHEMBL245419 0.91 PSIP1 (0.45) PSIP1CYP3A4DHODHKDM4EKCNH2
SCHEMBL244120 0.91 PSIP1 (0.48) PSIP1CYP3A4DHODHKDM4EKCNH2
SCHEMBL245226 0.91 PSIP1 (0.48) PSIP1CYP3A4DHODHKDM4EKCNH2
SCHEMBL245088 0.91 PSIP1 (0.48) PSIP1CYP3A4DHODHKCNH2
SCHEMBL244698 0.88 PSIP1 (0.46) PSIP1CYP3A4DHODH
SCHEMBL243304 0.88 PSIP1 (0.46) PSIP1CYP3A4DHODHPLA2G2AKCNH2
SCHEMBL244126 0.86 PSIP1 (0.45) PSIP1CYP3A4DHODHALOX5APPLA2G2A
SCHEMBL244717 0.86 PSIP1 (0.51) PSIP1CYP3A4DHODHKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS 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-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 PSIP1 3417/4885CYP3A4 1995/4885DHODH 853/4885

“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.