SCHEMBL244060

SCHEMBL244060

Cc1ccccc1NCc1ccc2c(-c3ccc(Cl)cc3)c(C(OC(C)(C)C)C(=O)O)c(C)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.42
CYP3A4 P08684 2/20 0.41
ACP1 P24666 1/20 0.34
DHODH Q02127 1/20 0.33
MAPT P10636 1/20 0.33
SCD O00767 1/20 0.33
PLA2G2A P14555 1/20 0.33
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
PSD A5PKW4 1/20 0.32
CYP19A1 P11511 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
SCHEMBL243304 0.88 PSIP1 (0.46) PSIP1CYP3A4DHODHPLA2G2A
SCHEMBL244120 0.85 PSIP1 (0.48) PSIP1CYP3A4DHODHMAPTHPGD
SCHEMBL245226 0.85 PSIP1 (0.48) PSIP1CYP3A4DHODHMAPTHPGD
SCHEMBL245088 0.85 PSIP1 (0.48) PSIP1CYP3A4DHODH
SCHEMBL244126 0.85 PSIP1 (0.45) PSIP1CYP3A4DHODHPLA2G2APSD
SCHEMBL3295273 0.84 PSIP1 (0.47) PSIP1CYP3A4DHODHPLA2G2A
SCHEMBL244698 0.83 PSIP1 (0.46) PSIP1CYP3A4DHODH
SCHEMBL244061 0.83 PSIP1 (0.43) PSIP1CYP3A4DHODH
SCHEMBL244600 0.83 PSIP1 (0.43) PSIP1CYP3A4DHODH
SCHEMBL245450 0.82 PSIP1 (0.45) PSIP1CYP3A4DHODHMAPTHPGD

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 5 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
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

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 1995/4885ACP1 1407/4885

“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.