SCHEMBL3605409

SCHEMBL3605409

N#Cc1cn(CC(=O)O)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 2/20 0.37
CNR1 P21554 4/20 0.37
IDH2 P48735 3/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 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
SCHEMBL3597643 0.92 CNR1 (0.39) MAPTGAACNR1LMNAL3MBTL1
SCHEMBL3590430 0.91 CNR1 (0.41) CNR1LMNAL3MBTL1ATMTDP1
SCHEMBL3596115 0.86 ALDH1A1 (0.43) MAPTHTTGAACNR1LMNA
SCHEMBL3604717 0.86 PTGDR2 (0.40) MAPTGAACNR1LMNAL3MBTL1
SCHEMBL3912621 0.86 L3MBTL1 (0.46) HTTCNR1L3MBTL1KCNH2
SCHEMBL4144085 0.85 PTGDR2 (0.42) GAACNR1LMNAALDH1A1
SCHEMBL4140420 0.85 KMT2A (0.44) MAPTHTTGAACNR1LMNA
SCHEMBL3917987 0.84 GAA (0.44) HTTGAACNR1LMNAALDH1A1
SCHEMBL3596237 0.83 PTGDR2 (0.39)
SCHEMBL4139396 0.83 RXRA (0.35) L3MBTL1

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 8 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 claimed
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP claimed
EP-1828172-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 2007-09-05 EP claimed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 WO claimed
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 EPHX2 1042/4885MAPT 4382/4885HTT 2655/4885

“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.