SCHEMBL244126

SCHEMBL244126

Cc1cc2nc(CCc3ccccc3)ccc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.45
CYP3A4 P08684 2/20 0.43
PLA2G2A P14555 1/20 0.41
DHODH Q02127 3/20 0.37
KCNH2 Q12809 1/20 0.36
CYP19A1 P11511 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ALOX5AP P20292 1/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
MCTS1 Q9ULC4 1/20 0.35
PSD A5PKW4 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34

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
SCHEMBL15182627 0.95 PLA2G2A (0.41) PSIP1CYP3A4PLA2G2ADHODHCYP19A1
SCHEMBL20021106 0.93 PSIP1 (0.52) PSIP1CYP3A4PLA2G2AKCNH2SLCO1B1
SCHEMBL244120 0.88 PSIP1 (0.48) PSIP1CYP3A4DHODHKCNH2
SCHEMBL245226 0.88 PSIP1 (0.48) PSIP1CYP3A4DHODHKCNH2
SCHEMBL245088 0.88 PSIP1 (0.48) PSIP1CYP3A4DHODHKCNH2
SCHEMBL241543 0.87 PSIP1 (0.46) PSIP1CYP3A4DHODHKCNH2SLCO1B1
SCHEMBL245473 0.87 PLA2G2A (0.38) PSIP1CYP3A4PLA2G2ADHODHCYP19A1
SCHEMBL245474 0.87 PLA2G2A (0.38) PSIP1CYP3A4PLA2G2ADHODHCYP19A1
SCHEMBL245450 0.87 PSIP1 (0.45) PSIP1CYP3A4DHODHKCNH2ALOX5AP
SCHEMBL3295273 0.86 PSIP1 (0.47) PSIP1CYP3A4PLA2G2ADHODHKCNH2

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 1995/4885PLA2G2A 4453/4885

“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.