SCHEMBL3297264

SCHEMBL3297264

Cc1cc2c(ccc(=O)n2Cc2ccccc2)c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
PTGES2 Q9H7Z7 11/20 0.41
PTGES O14684 4/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
TBXAS1 P24557 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MDM2 Q00987 1/20 0.38
PSIP1 O75475 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
CYP2C9 P11712 1/20 0.37
EGFR P00533 1/20 0.37
CHRM4 P08173 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRA2A P08913 1/20 0.37
ALOX5 P09917 1/20 0.37
ADRB3 P13945 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37

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
SCHEMBL15182599 0.94 PTGES2 (0.41) CYP3A4PTGES2PTGESPTGDR2TBXAS1
SCHEMBL15186207 0.92 CYP3A4 (0.42) CYP3A4PTGES2PTGESTBXAS1PSIP1
SCHEMBL15093592 0.91 MAPK8 (0.39) CYP3A4PTGES2PTGESPTGDR2PSIP1
SCHEMBL15093467 0.91 PPARG (0.43) CYP3A4PPARGPPARACYP2C9EGFR
SCHEMBL15102803 0.91 MAPK8 (0.39) CYP3A4PTGES2PTGESPTGDR2PSIP1
SCHEMBL15102812 0.91 PPARG (0.43) CYP3A4PPARGPPARACYP2C9EGFR
SCHEMBL252858 0.88 PTGES2 (0.39) PTGES2PTGESPTGDR2TBXAS1MEN1
SCHEMBL252857 0.88 PTGES2 (0.39) PTGES2PTGESPTGDR2TBXAS1MEN1
SCHEMBL3312482 0.87 PTGDR2 (0.40) PTGES2PTGESPTGDR2MEN1KMT2A
SCHEMBL15182600 0.85 KDM4E (0.37) CYP3A4PTGES2PTGESPTGDR2MDM2

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 10 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
CN-103209963-A 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES INC 2013-07-17 CN 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 CYP3A4 1995/4885PTGES2 3987/4885PTGES 4462/4885

“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.