SCHEMBL252858

SCHEMBL252858

Cc1cc2c(ccc(=O)n2Cc2ccccc2)c(-c2ccc(Cl)cc2)c1C(CO)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 8/20 0.39
PTGES O14684 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MDM2 Q00987 2/20 0.38
TBXAS1 P24557 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MDM4 O15151 1/20 0.36
PDE1C Q14123 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL252857 1.00 PTGES2 (0.39) PTGES2PTGESPTGDR2MEN1KMT2A
SCHEMBL3297264 0.88 CYP3A4 (0.42) PTGES2PTGESPTGDR2MEN1KMT2A
SCHEMBL15182599 0.87 PTGES2 (0.41) PTGES2PTGESPTGDR2MEN1KMT2A
SCHEMBL250760 0.83 SMN1; SMN2 (0.33) KDM4E
SCHEMBL250761 0.83 SMN1; SMN2 (0.33) KDM4E
SCHEMBL15186207 0.80 CYP3A4 (0.42) PTGES2PTGESTBXAS1KDM4E
SCHEMBL15093467 0.80 PPARG (0.43)
SCHEMBL15102812 0.80 PPARG (0.43)
SCHEMBL15093592 0.80 MAPK8 (0.39) PTGES2PTGESPTGDR2
SCHEMBL15102803 0.80 MAPK8 (0.39) PTGES2PTGESPTGDR2

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 PTGES2 3987/4885PTGES 4462/4885PTGDR2 4452/4885

“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.