SCHEMBL244231

SCHEMBL244231

Cc1ccc2c(-c3ccc(Cl)cc3Cl)c([C@H](OC(C)(C)C)C(=O)O)c(C)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.40
CYP3A4 P08684 2/20 0.40
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
POLB P06746 1/20 0.36
DHODH Q02127 1/20 0.36
CRHR1 P34998 3/20 0.35
KMO O15229 1/20 0.34
SHMT1 P34896 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
SHMT2 P34897 1/20 0.33
DPP4 P27487 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
SCHEMBL244230 1.00 PSIP1 (0.40) PSIP1CYP3A4CNR1CNR2POLB
SCHEMBL15182694 0.92 CNR1 (0.36) PSIP1CYP3A4CNR1CNR2POLB
SCHEMBL15182546 0.90 POLB (0.36) PSIP1CYP3A4CNR1CNR2POLB
SCHEMBL15182718 0.90 MAPT (0.38) CYP3A4CNR1CNR2POLBDHODH
SCHEMBL244717 0.87 PSIP1 (0.51) PSIP1CYP3A4POLBDHODHKDM4E
SCHEMBL244914 0.87 PSIP1 (0.51) PSIP1CYP3A4POLBDHODHKDM4E
SCHEMBL10272106 0.83 CYP3A4 (0.41) PSIP1CYP3A4CNR1CNR2CRHR1
SCHEMBL1699279 0.83 CYP3A4 (0.41) PSIP1CYP3A4CNR1CNR2CRHR1
SCHEMBL244930 0.82 PSIP1 (0.52) PSIP1CYP3A4POLBDHODHKDM4E
SCHEMBL246916 0.82 PSIP1 (0.52) PSIP1CYP3A4POLBDHODHKDM4E

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-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
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-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US 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
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
EP-2588455-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO 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 1995/4885CNR1 3847/4885

“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.