SCHEMBL5776529

SCHEMBL5776529

C=Cc1cccn1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.56
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PPME1 Q9Y570 7/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
KDM4E B2RXH2 1/20 0.44
UBE2N P61088 1/20 0.44
APEH P13798 1/20 0.44
POLB P06746 2/20 0.43
HTT P42858 2/20 0.43
ALDH3A1 P30838 1/20 0.43
NOD1 Q9Y239 1/20 0.43
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41
MMP2 P08253 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2457308 0.85 RAPGEF4 (0.58) RAPGEF4CA1CA2PPME1L3MBTL1
SCHEMBL4312459 0.78 RAPGEF4 (0.50) RAPGEF4CA1CA2PPME1L3MBTL1
SCHEMBL4312461 0.78 RAPGEF4 (0.50) RAPGEF4CA1CA2PPME1L3MBTL1
SCHEMBL3834757 0.78 RAPGEF4 (0.65) RAPGEF4CA1CA2L3MBTL1KDM4E
SCHEMBL3239791 0.75 RAPGEF4 (0.50) RAPGEF4CA1CA2L3MBTL1KDM4E
SCHEMBL23699019 0.75 RAPGEF4 (0.61) RAPGEF4CA1CA2L3MBTL1KDM4E
SCHEMBL7641128 0.75 RAPGEF4 (0.61) RAPGEF4CA1CA2L3MBTL1KDM4E
SCHEMBL5535689 0.75 RAPGEF4 (0.61) RAPGEF4CA1CA2L3MBTL1KDM4E
SCHEMBL1365792 0.75 RAPGEF4 (0.61) RAPGEF4CA1CA2L3MBTL1KDM4E
SCHEMBL3188642 0.75 RAPGEF4 (0.61) RAPGEF4CA1CA2L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912487-A A method of synthesis -1 hydrogen of 1- p-toluenesulfonyl -2- vinyl-pyrroles 山东理工大学 2019-06-21 CN claimed
CN-109912487-B Method for synthesizing 1-p-toluenesulfonyl-2-vinyl-1H-pyrrole 山东理工大学 2023-01-10 CN disclosed
CN-109912487-B Method for synthesizing 1-p-toluenesulfonyl-2-vinyl-1H-pyrrole 山东理工大学 2023-01-10 CN disclosed
CN-109912487-B Method for synthesizing 1-p-toluenesulfonyl-2-vinyl-1H-pyrrole 山东理工大学 2023-01-10 CN disclosed
CN-109912487-A A method of synthesis -1 hydrogen of 1- p-toluenesulfonyl -2- vinyl-pyrroles 山东理工大学 2019-06-21 CN disclosed
CN-109912487-A A method of synthesis -1 hydrogen of 1- p-toluenesulfonyl -2- vinyl-pyrroles 山东理工大学 2019-06-21 CN disclosed
CN-109912487-A A method of synthesis -1 hydrogen of 1- p-toluenesulfonyl -2- vinyl-pyrroles 山东理工大学 2019-06-21 CN disclosed
US-20180002318-A1 SYNTHESIS OF CYCLOPROPYL INDOLES AND CYCLOHEPTA[B]INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHOD OF USING THEM NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-01-04 US disclosed
EP-1664043-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 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 (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-20180002318-A1 SYNTHESIS OF CYCLOPROPYL INDOLES AND CYCLOHEPTA[B]INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHOD OF USING THEM IDO1, IDO2, GPR119 RAPGEF4 4186/4885CA1 1074/4885CA2 946/4885

“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.