SCHEMBL3719656

SCHEMBL3719656

O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
MMP8 P22894 1/20 0.61
MMP12 P39900 1/20 0.61
MMP13 P45452 1/20 0.61
UBE2N P61088 1/20 0.58
ALDH1A1 P00352 1/20 0.56
RAB9A P51151 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL2881064 0.96 ALDH1A1 (0.62) POLBMMP8MMP12MMP13UBE2N
SCHEMBL7226664 0.93 POLB (0.62) POLBMMP8MMP12MMP13UBE2N
SCHEMBL7226660 0.93 POLB (0.62) POLBMMP8MMP12MMP13UBE2N
SCHEMBL12995467 0.82 POLB (0.53) POLBUBE2NALDH1A1RAB9A
SCHEMBL1381814 0.82 POLB (0.53) POLBUBE2NALDH1A1RAB9A
SCHEMBL23519421 0.77 ALDH1A1 (0.65) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL6996 0.77 ALDH1A1 (0.65) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL6997 0.77 ALDH1A1 (0.65) POLBMMP8MMP12MMP13ALDH1A1
SCHEMBL5282637 0.77 MEN1 (0.72) POLBALDH1A1RAB9A
SCHEMBL6971945 0.77 POLB (0.50) POLBALDH1A1RAB9ATDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US claimed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO claimed
US-9562043-B2 Heterocyclic amide derivative and pharmaceutical product containing same EA PHARMA CO., LTD. (JP) 2017-02-07 US disclosed
US-9562043-B2 Heterocyclic amide derivative and pharmaceutical product containing same EA PHARMA CO., LTD. (JP) 2017-02-07 US disclosed
US-20150284375-A1 HETEROCYCLIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME AJINOMOTO CO., INC. (JP) 2015-10-08 US disclosed
US-20140329796-A1 HETEROCYCLIC AMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AJINOMOTO CO., INC. (JP) 2014-11-06 US disclosed
US-20140329796-A1 HETEROCYCLIC AMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AJINOMOTO CO., INC. (JP) 2014-11-06 US disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 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 (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-20150284375-A1 HETEROCYCLIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME TRPA1, TRPV1, TRPV2 POLB 4765/4885MMP8 1141/4885MMP12 2543/4885
US-20140329796-A1 HETEROCYCLIC AMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TRPA1, TRPV1, TRPV2 POLB 4839/4885MMP8 1988/4885MMP12 3312/4885

“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.