SCHEMBL244722

SCHEMBL244722

Cc1ccc2c(-c3ccc(Cl)cc3)c(C(CO)OC(C)(C)C)c(Cl)cc2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
CRHR1 P34998 3/20 0.36
PSIP1 O75475 1/20 0.35
CYP3A4 P08684 1/20 0.34
GRM2 Q14416 1/20 0.33
NR4A2 P43354 1/20 0.33
S1PR4 O95977 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
DHODH Q02127 2/20 0.31
GCGR P47871 1/20 0.31
LTB4R Q15722 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL245531 1.00 POLB (0.36) POLBCRHR1PSIP1CYP3A4GRM2
SCHEMBL245588 0.93 POLB (0.39) POLBCRHR1PSIP1CYP3A4GRM2
SCHEMBL245587 0.93 POLB (0.39) POLBCRHR1PSIP1CYP3A4GRM2
SCHEMBL245273 0.85 NPC1 (0.37) POLBCRHR1PSIP1CYP3A4GRM2
SCHEMBL245271 0.85 NPC1 (0.37) POLBCRHR1PSIP1CYP3A4GRM2
SCHEMBL245272 0.85 NPC1 (0.37) POLBCRHR1PSIP1CYP3A4GRM2
SCHEMBL243324 0.83 MAPT (0.35) POLBCRHR1PSIP1CYP3A4GRM2
SCHEMBL243325 0.83 MAPT (0.35) POLBCRHR1PSIP1CYP3A4GRM2
SCHEMBL241562 0.82 PSIP1 (0.34) POLBCRHR1PSIP1CYP3A4GRM2
SCHEMBL241563 0.82 PSIP1 (0.34) POLBCRHR1PSIP1CYP3A4GRM2

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 POLB 1638/4885CRHR1 2096/4885PSIP1 3417/4885

“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.