SCHEMBL3597643

SCHEMBL3597643

N#Cc1cn(CC(=O)O)cc1-c1cc(C(F)(F)F)cc(S(=O)(=O)N2CCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.39
LOX P28300 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.36
KCNH2 Q12809 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL3590430 0.99 CNR1 (0.41) CNR1LOXL3MBTL1LMNAKCNH2
SCHEMBL3605409 0.92 EPHX2 (0.40) CNR1L3MBTL1LMNAKCNH2THRB
SCHEMBL3596115 0.89 ALDH1A1 (0.43) CNR1L3MBTL1LMNAKCNH2ALDH1A1
SCHEMBL4140420 0.87 KMT2A (0.44) CNR1LMNAPOLBTDP1ALDH1A1
SCHEMBL4144085 0.87 PTGDR2 (0.42) CNR1LMNAALDH1A1PTGDR2GAA
SCHEMBL3917987 0.86 GAA (0.44) CNR1LMNAALDH1A1GAACYP1A2
SCHEMBL3912621 0.86 L3MBTL1 (0.46) CNR1L3MBTL1KCNH2CYP1A2CYP2D6
SCHEMBL3607836 0.85 CNR1 (0.41) CNR1LMNATDP1ALDH1A1PTGDR2
SCHEMBL3596237 0.85 PTGDR2 (0.39) PTGDR2
SCHEMBL4139396 0.85 RXRA (0.35) L3MBTL1PTGDR2

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
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP 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 CNR1 77/4885LOX 3096/4885L3MBTL1 4729/4885

“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.