SCHEMBL3600834

SCHEMBL3600834

CCCCS(=O)(=O)c1cc(-c2cn(CC(=O)OC)cc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.33
AR P10275 2/20 0.33
PSEN1 P49768 2/20 0.33
PSEN2 P49810 2/20 0.33
APH1B Q8WW43 2/20 0.33
NCSTN Q92542 2/20 0.33
APH1A Q96BI3 2/20 0.33
PSENEN Q9NZ42 2/20 0.33
CTSK P43235 1/20 0.32
POLB P06746 1/20 0.31
DDR1 Q08345 2/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL3588945 0.90 PSEN1 (0.34) GPBAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL3597829 0.86 AR (0.35) GPBAR1ARPSEN1PSEN2APH1B
SCHEMBL3599843 0.84 AR (0.40) GPBAR1ARPOLB
SCHEMBL3593302 0.84 PTGDR2 (0.37) GPBAR1CTSKDDR1
SCHEMBL3594636 0.81 PTGDR2 (0.38) CTSKDDR1
SCHEMBL3596100 0.81 RXRA (0.43) ARPOLBELANE
SCHEMBL3600045 0.80 AR (0.37) ARPOLBELANE
SCHEMBL3600090 0.80 AR (0.37) ARPOLBELANE
SCHEMBL3602959 0.79 IDH2 (0.38) POLB
SCHEMBL3604031 0.77 GAA (0.36) ARPOLB

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 GPBAR1 295/4885AR 283/4885PSEN1 4103/4885

“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.