SCHEMBL3601964

SCHEMBL3601964

COC(=O)Cn1cc(C#N)c(-c2cccc(S(C)(=O)=O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.45
HSP90B1 P14625 1/20 0.44
TRAP1 Q12931 1/20 0.44
POLB P06746 1/20 0.41
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
NR1H2 P55055 1/20 0.38
FASN P49327 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
POLQ O75417 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
SCHEMBL3594729 0.88 HSP90AA1 (0.41) HSP90AA1CTSSCTSKNR1H2FASN
SCHEMBL3597545 0.88 AR (0.39) HSP90AA1POLB
SCHEMBL13404301 0.82 POLB (0.52) POLB
SCHEMBL3598966 0.80 AR (0.40) POLB
SCHEMBL3911826 0.77 KDM4E (0.37) POLB
SCHEMBL3609964 0.76 KDM4E (0.42) POLB
SCHEMBL3597829 0.74 AR (0.35) POLB
SCHEMBL3599843 0.73 AR (0.40) POLBPOLQ
SCHEMBL11555312 0.72 BRD4 (0.36) HSP90AA1HSP90B1TRAP1POLBCTSS
SCHEMBL3597635 0.71 ALDH1A1 (0.39) POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US disclosed
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP disclosed
EP-1828172-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 2007-09-05 EP disclosed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 HSP90AA1 4335/4885HSP90B1 4001/4885TRAP1 4027/4885

“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.