SCHEMBL13404377

SCHEMBL13404377

CCCCN(C)S(=O)(=O)c1cc(C)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
MAPT P10636 3/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SERPINE1 P05121 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
S1PR1 P21453 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
SCHEMBL13404359 0.85 HDAC8 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13404370 0.81 KMT2A (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16508863 0.80 LSS (0.48) MAPTMEN1KMT2ALMNAHDAC4
SCHEMBL13404441 0.79 TRPV4 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13404365 0.78 HTT (0.46) MAPTHDAC8LMNANPSR1TSHR
SCHEMBL13404429 0.77 CYP3A4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13404351 0.74 PTGDR2 (0.40) HDAC8
SCHEMBL13404369 0.73 GAA (0.49) MAPTMAPK1KMT2ALMNATSHR
SCHEMBL13404431 0.73 CYP3A4 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12169294 0.72 LMNA (0.52) PSEN1PSEN2APH1BNCSTNAPH1A

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 3 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
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

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 PSEN1 4103/4885PSEN2 2881/4885APH1B 2724/4885

“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.