SCHEMBL3596115

SCHEMBL3596115

N#CCCN1CCN(S(=O)(=O)c2cc(-c3cn(CC(=O)O)cc3C#N)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 5/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
CNR1 P21554 3/20 0.37
KCNH2 Q12809 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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 0.89 CNR1 (0.39) ALDH1A1LMNAKMT2AGAAMAPT
SCHEMBL3590430 0.88 CNR1 (0.41) ALDH1A1TSHRLMNAKMT2AL3MBTL1
SCHEMBL3600846 0.87 GAA (0.43) ALDH1A1TSHRLMNAKMT2AGAA
SCHEMBL4144085 0.87 PTGDR2 (0.42) ALDH1A1TSHRLMNAGAAPKM
SCHEMBL3605409 0.86 EPHX2 (0.40) ALDH1A1LMNAKMT2AGAAMAPT
SCHEMBL3924533 0.85 L3MBTL1 (0.44) ALDH1A1TSHRKMT2AL3MBTL1CNR1
SCHEMBL3912621 0.83 L3MBTL1 (0.46) TSHRL3MBTL1HTTCNR1KCNH2
SCHEMBL3917987 0.83 GAA (0.44) ALDH1A1TSHRLMNAGAAPKM
SCHEMBL4140420 0.82 KMT2A (0.44) ALDH1A1TSHRLMNAKMT2AGAA
SCHEMBL3914118 0.81 LMNA (0.45) ALDH1A1TSHRLMNAKMT2AMAPT

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 ALDH1A1 3117/4885TSHR 35/4885LMNA 4419/4885

“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.