SCHEMBL16045908

SCHEMBL16045908

CS(=O)(=O)Nc1cc(Br)c(Oc2ccc(F)cc2F)cc1Oc1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.61
EPAS1 Q99814 1/20 0.51
BRD4 O60885 11/20 0.43
EP300 Q09472 1/20 0.41
SLC22A12 Q96S37 1/20 0.39
CCR2 P41597 1/20 0.39
MAPK8 P45983 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PTGS1 P23219 1/20 0.39
TRPA1 O75762 1/20 0.38

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
SCHEMBL16047515 0.93 PTGS2 (0.62) PTGS2EPAS1BRD4EP300SLC22A12
SCHEMBL16045757 0.92 PTGS2 (0.55) PTGS2EPAS1BRD4EP300MAPK8
SCHEMBL29548745 0.85 PTGS2 (0.51) PTGS2EPAS1BRD4EP300MAPK8
SCHEMBL28721123 0.85 PTGS2 (0.51) PTGS2EPAS1BRD4EP300MAPK8
SCHEMBL16651668 0.83 EPAS1 (0.55) PTGS2EPAS1BRD4EP300
SCHEMBL29549377 0.82 BRD4 (0.51) PTGS2EPAS1BRD4EP300
SCHEMBL28720338 0.82 BRD4 (0.51) PTGS2EPAS1BRD4EP300
SCHEMBL8524487 0.81 PTGS2 (0.59) PTGS2EPAS1BRD4EP300CCR2
SCHEMBL10416533 0.80 PTGS2 (0.59) PTGS2EPAS1BRD4EP300SLC22A12
SCHEMBL8107798 0.80 PTGS2 (0.56) PTGS2EPAS1BRD4PTGS1

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
US-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC (US) 2016-08-18 US disclosed
US-9321764-B2 Dihydro-pyrrolopyridinone inhibitors ABBVIE INC. (US) 2016-04-26 US disclosed
EP-2970276-A1 DIHYDRO-PYRROLOPYRIDINONE BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
WO-2014165143-A1 DIHYDRO-PYRROLOPYRIDINONE BROMODOMAIN INHIBITORS ABBVIE INC. (US) 2014-10-09 WO disclosed
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS ABBVIE INC. 2014-09-18 US 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 (2 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-20160237084-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR PTGS2 840/4885EPAS1 1091/4885BRD4 676/4885
US-20140275026-A1 DIHYDRO-PYRROLOPYRIDINONE INHIBITORS DPYD, QDPR, DHFR PTGS2 840/4885EPAS1 1091/4885BRD4 676/4885

“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.