SCHEMBL2856989

SCHEMBL2856989

Nc1cccc(S(=O)(=O)N2CCC(O)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKLR P30613 1/20 0.57
PKM P14618 6/20 0.53
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
CNR1 P21554 1/20 0.47
LMNA P02545 2/20 0.47
GCK P35557 1/20 0.46
TLR8 Q9NR97 3/20 0.45
AKR1C3 P42330 2/20 0.44

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
SCHEMBL854796 0.91 PKLR (0.63) PKLRPKMALDH1A1TSHRHSD17B10
SCHEMBL17861034 0.83 MBTD1 (0.61) ALDH1A1NPSR1LMNAAKR1C3
SCHEMBL17860988 0.83 MBTD1 (0.61) ALDH1A1NPSR1LMNAAKR1C3
SCHEMBL19457367 0.83 EPHX2 (0.55) ALDH1A1NPSR1LMNA
SCHEMBL17843469 0.83 MBTD1 (0.61) ALDH1A1NPSR1LMNAAKR1C3
SCHEMBL19457361 0.83 EPHX2 (0.55) ALDH1A1NPSR1LMNA
SCHEMBL2856988 0.82 ALDH1A1 (0.70) ALDH1A1TSHRNPSR1LMNAAKR1C3
SCHEMBL21772288 0.82 AKR1C3 (0.54) PKMALDH1A1TSHRTDP1LMNA
SCHEMBL4514894 0.82 ALDH1A1 (0.54) PKMALDH1A1LMNA
SCHEMBL2983581 0.82 ALDH1A1 (0.54) PKMALDH1A1LMNA

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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 PKLR 1556/4885PKM 1321/4885ALDH1A1 3589/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 PKLR 1556/4885PKM 1321/4885ALDH1A1 3589/4885

“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.