SCHEMBL893514

SCHEMBL893514

N#Cc1ccnc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.56
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
HDAC1 Q13547 2/20 0.44
TGFBR1 P36897 1/20 0.43
TOP1 P11387 2/20 0.41
KCNH2 Q12809 2/20 0.41
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KDM1A O60341 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP3A5 P20815 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
PPARG P37231 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NPY5R Q15761 1/20 0.39
MAOB P27338 1/20 0.39
PTGDR2 Q9Y5Y4 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
SCHEMBL6238592 0.84 KIF11 (0.56) KIF11CTSSMAPKAPK2TGFBR1KCNH2
SCHEMBL30081919 0.83 CTSS (0.57) CTSSCTSKTGFBR1KCNH2
SCHEMBL28924400 0.83 CTSS (0.57) CTSSCTSKTGFBR1KCNH2
SCHEMBL16005299 0.81 KIF11 (0.61) KIF11CTSSCTSKTOP1KCNH2
SCHEMBL15104626 0.81 NPY5R (0.53) MAPKAPK2KCNH2PPARGNPY5R
SCHEMBL17116616 0.81 PPARG (0.43) MAPKAPK2TGFBR1KCNH2PPARGUSP30
SCHEMBL16894190 0.80 USP30 (0.42) TGFBR1KCNH2ABL1BCRPPARG
SCHEMBL894210 0.80 SCN10A (0.46) KDM1AABL1BCRUSP30MAOB
SCHEMBL16033876 0.79 KDM4C (0.64)
SCHEMBL27764812 0.79 KIF11 (0.52) KIF11MAPKAPK2HDAC1TGFBR1TOP1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-05 US disclosed
EP-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 EP disclosed
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same EA PHARMA CO., LTD. (JP) 2020-04-21 US disclosed
EP-3101015-B1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO LTD (JP) 2019-09-18 EP disclosed
EP-2900642-B1 SUBSTITUTED SULFONAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-02-28 EP disclosed
US-9580411-B2 Substituted sulfonamide compounds HOFFMANN-LA ROCHE INC. (US) 2017-02-28 US disclosed
EP-3101015-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA Pharma Co., Ltd. (JP) 2016-12-07 EP disclosed
US-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME EA PHARMA CO., LTD. (JP) 2016-11-17 US disclosed
US-9409864-B2 Sulfonamide TRPA1 receptor antagonists ARIO PHARMA LIMITED (GB) 2016-08-09 US disclosed
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists ARIO PHARMA LIMITED (GB) 2016-01-28 US disclosed
CN-105143188-A Novel sulfonamide trpa1 receptor antagonists PHARMESTE S R L IN LIQUIDATION 2015-12-09 CN disclosed
EP-2900642-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-08-05 EP disclosed
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS GENENTECH, INC. (US) 2015-07-16 US disclosed
WO-2014135617-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS PHARMESTE S.R.L. IN LIQUIDATION (IT) 2014-09-12 WO disclosed
EP-2774919-A1 Novel sulfonamide TRPA1 receptor antagonists PHARMESTE S.R.L. IN LIQUIDAZIONE (IT) 2014-09-10 EP disclosed
US-8614201-B2 Heterocyclic amides as modulators of TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-24 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
WO-2010141805-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO 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 (6 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-20160332999-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVE AND MEDICINE COMPRISING SAME TRPA1, TRPV1, TRPV2 KIF11 4227/4885CTSS 1700/4885CTSK 2262/4885
US-20150197509-A1 SUBSTITUTED SULFONAMIDE SOLUTIONS TRPA1, TRPV1, TRPV5 KIF11 4131/4885CTSS 1254/4885CTSK 1892/4885
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists TRPA1, TRPV1, TRPV2 KIF11 4145/4885CTSS 2445/4885CTSK 2507/4885
US-20230312542-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF VHL, MDM2, NEDD4 KIF11 3648/4885CTSS 3975/4885CTSK 4074/4885
US-10626112-B2 Heterocyclic sulfonamide derivative and medicine comprising same TRPA1, TRPV1, TRPV2 KIF11 4227/4885CTSS 1700/4885CTSK 2262/4885
US-20120083474-A1 HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 TRPA1, TRPV1, TRPV2 KIF11 4303/4885CTSS 1408/4885CTSK 1483/4885

“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.