SCHEMBL3720272

SCHEMBL3720272

O=C(O)[C@@H]1C=CCN1S(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 1/20 0.59
▸ MMP12 P39900 1/20 0.59
▸ MMP13 P45452 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.57
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL17147370 0.77 MMP8 (0.57) MMP8MMP12MMP13ALDH1A1L3MBTL1
SCHEMBL15832924 0.75 MMP8 (0.87) MMP8MMP12MMP13ALDH1A1L3MBTL1
SCHEMBL894072 0.74 MMP8 (1.00) MMP8MMP12MMP13ALDH1A1L3MBTL1
SCHEMBL894074 0.74 MMP8 (1.00) MMP8MMP12MMP13ALDH1A1L3MBTL1
SCHEMBL16217966 0.73 MMP8 (0.66) MMP8MMP12MMP13ALDH1A1L3MBTL1
SCHEMBL16217965 0.72 MMP8 (0.64) MMP8MMP12MMP13ALDH1A1L3MBTL1
SCHEMBL25989026 0.71 L3MBTL1 (0.76) MMP8MMP12MMP13ALDH1A1L3MBTL1
SCHEMBL17147374 0.71 ELOVL6 (0.35) ALDH1A1L3MBTL1TDP1POLBHTT
SCHEMBL3717775 0.71 POLB (0.56) MMP8MMP12MMP13ALDH1A1L3MBTL1
SCHEMBL3802592 0.70 MAPT (0.46) MMP8ALDH1A1L3MBTL1TSHRLMNA

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 11 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
EP-2937335-A1 HETEROCYCLIC AMIDE DERIVATIVE, AND MEDICINE CONTAINING SAME Ajinomoto Co., Inc. (JP) 2015-10-28 — — EP 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
WO-2014098098-A1 HETEROCYCLIC AMIDE DERIVATIVE, AND MEDICINE CONTAINING SAME 味の素株式会社 (JP) 2014-06-26 — — WO 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 MMP8 1141/4885MMP12 2543/4885MMP13 2861/4885
US-20140329796-A1 HETEROCYCLIC AMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TRPA1, TRPV1, TRPV2 MMP8 1988/4885MMP12 3312/4885MMP13 3558/4885

“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.

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