SCHEMBL2854475

SCHEMBL2854475

Cc1c(N)cccc1S(N)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.61
▸ CA1 P00915 5/20 0.61
▸ CA9 Q16790 5/20 0.61
▸ CA6 P23280 3/20 0.61
▸ CA12 O43570 3/20 0.61
▸ CA4 P22748 2/20 0.61
▸ CA5A P35218 2/20 0.61
▸ CA7 P43166 2/20 0.61
▸ CA5B Q9Y2D0 2/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ CA14 Q9ULX7 1/20 0.61
▸ CYP3A4 P08684 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PIK3CA P42336 1/20 0.54
▸ GAA P10253 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ CDK2 P24941 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ TTR P02766 1/20 0.42
▸ HTR6 P50406 1/20 0.41

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
SCHEMBL10808580 0.86 CA2 (0.52) CA2CA1CA9CA6CA12
SCHEMBL8180224 0.84 GAA (0.60) CA2CA1CA9CA6CA12
SCHEMBL11477215 0.83 CYP3A4 (0.54) CA2CA1CA9CA6CA12
SCHEMBL7484553 0.81 CYP3A4 (0.52) CA2CA1CA9CA6CA12
SCHEMBL2184171 0.81 TTR (0.60) CA2CA1CA9CA6CA12
SCHEMBL401308 0.80 CA2 (0.47) CA2CA1CA9CA6CA12
SCHEMBL31310995 0.80 CA2 (0.47) CA2CA1CA9CA6CA12
SCHEMBL8480118 0.78 CA2 (0.61) CA2CA1CA9CA6CA12
Hydrochloric Acid SCHEMBL1017217 0.78 CA2 (0.45) CA2CA1CA9CA6CA12
SCHEMBL31370840 0.78 CA2 (0.61) CA2CA1CA9CA6CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109422748-A The method for synthesizing TNNI3K inhibitor 南京理工大学 2019-03-05 — — CN claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 — — EP claimed
EP-1490044-A4 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORP (US) 2008-04-16 — — EP claimed
EP-1490044-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2004-12-29 — — EP claimed
WO-2003084524-A1 COMBINATION THERAPY FOR THE TREATMENT OF CONDITIONS WITH PATHOGENIC INFLAMMATORY COMPONENTS NEUROGEN CORPORATION (US) 2003-10-16 — — WO claimed
CN-109422748-A The method for synthesizing TNNI3K inhibitor 南京理工大学 2019-03-05 — — CN disclosed
CN-104829542-B Aniline pyrimidine class compound, its preparation method and medical usage 中国科学院上海药物研究所 2018-02-02 — — CN disclosed
EP-2646431-A1 A PROCESS FOR THE PREPARATION OF PAZOPANIB USING NOVEL INTERMEDIATE Hetero Research Foundation (IN) 2013-10-09 — — EP disclosed
WO-2012073254-A1 A PROCESS FOR THE PREPARATION OF PAZOPANIB USING NOVEL INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2012-06-07 — — WO disclosed
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
WO-2007148116-A2 TOPICAL PHARMACEUTICAL FORMULATIONS ASTON UNIVERSITY (GB) 2007-12-27 — — WO 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
CN-1145031-A Starch-metal complexes for skin and hair SKIN BIOLOGY INC (US) 1997-03-12 — — CN 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 CA2 315/4885CA1 1399/4885CA9 2865/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 CA2 315/4885CA1 1399/4885CA9 2865/4885

“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.

Send feedback