SCHEMBL2575446

SCHEMBL2575446

CS(=O)(=O)c1ccccc1NC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.49
CA2 P00918 11/20 0.49
BCAT2 O15382 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
CA9 Q16790 3/20 0.45
CA12 O43570 2/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
PABPC1 P11940 1/20 0.43
EIF4H Q15056 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL30752023 1.00 CA1 (0.49) CA1CA2BCAT2KDM4EGAA
SCHEMBL7108586 0.86 NPC1 (0.53) CA1CA2BCAT2CA9CA12
SCHEMBL5483549 0.85 L3MBTL1 (0.50) CA1CA2BCAT2KDM4EGAA
SCHEMBL1644002 0.85 ALDH1A1 (0.55) CA1CA2BCAT2CA9ALDH1A1
SCHEMBL28816355 0.85 BCAT2 (0.53) CA1CA2BCAT2CA9CA12
SCHEMBL6118940 0.82 CA1 (0.69) CA1CA2CA9CA12
SCHEMBL7297478 0.82 CA1 (0.50) CA1CA2KDM4EGAACA9
SCHEMBL5178232 0.81 CA1 (0.49) CA1CA2KDM4EGAACA9
SCHEMBL27502345 0.81 CA1 (0.49) CA1CA2KDM4EGAACA9
SCHEMBL10744262 0.80 CA1 (0.49) CA1CA2KDM4EGAACA9

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
CN-106986857-B Trk inhibiting compound 小野药品工业株式会社 2019-07-05 CN disclosed
CN-106986857-A Trk inhibiting compounds 小野药品工业株式会社 2017-07-28 CN disclosed
CN-106928197-A Trk inhibiting compounds 小野药品工业株式会社 2017-07-07 CN disclosed
CN-104995172-B Trk inhibiting compounds 小野药品工业株式会社 2017-05-31 CN disclosed
EP-2563795-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY MethylGene Inc. (CA) 2013-03-06 EP disclosed
WO-2011127567-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-10-20 WO disclosed
US-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 US disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 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 (1 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-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 CA1 1414/4885CA2 1734/4885BCAT2 190/4885

“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.