SCHEMBL244065

SCHEMBL244065

Cc1cc2nc(C(F)(F)F)ccc2c(-c2ccc(Cl)cc2)c1C(CO)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARG P37231 1/20 0.32
CNR1 P21554 4/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MAPT P10636 4/20 0.32
CRHR1 P34998 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
POLB P06746 1/20 0.31
HTT P42858 1/20 0.31
GRM2 Q14416 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL244064 1.00 PSIP1 (0.33) PSIP1KDM4EALDH1A1HSD17B10PPARG
SCHEMBL245588 0.88 POLB (0.39) PSIP1CYP3A4CRHR1POLBGRM2
SCHEMBL245587 0.88 POLB (0.39) PSIP1CYP3A4CRHR1POLBGRM2
SCHEMBL243324 0.87 MAPT (0.35) PSIP1KDM4ECYP3A4MAPTCRHR1
SCHEMBL243325 0.87 MAPT (0.35) PSIP1KDM4ECYP3A4MAPTCRHR1
SCHEMBL244343 0.86 PSIP1 (0.35) PSIP1ALDH1A1PPARGCYP3A4MAPT
SCHEMBL244344 0.86 PSIP1 (0.35) PSIP1ALDH1A1PPARGCYP3A4MAPT
SCHEMBL244342 0.86 PSIP1 (0.35) PSIP1ALDH1A1PPARGCYP3A4MAPT
SCHEMBL241562 0.86 PSIP1 (0.34) PSIP1CYP3A4CRHR1POLBGRM2
SCHEMBL241563 0.86 PSIP1 (0.34) PSIP1CYP3A4CRHR1POLBGRM2

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 3417/4885KDM4E 2264/4885ALDH1A1 252/4885

“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.