SCHEMBL1377475

SCHEMBL1377475

Cc1ccc(F)cc1S(=O)(=O)Nc1ccnc(C(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 4/20 0.48
MCL1 Q07820 1/20 0.46
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
MEP1B Q16820 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TRIM24 O15164 1/20 0.38
BRD1 O95696 1/20 0.38
BRPF1 P55201 1/20 0.38
GLA P06280 1/20 0.37
IDH1 O75874 1/20 0.37

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
SCHEMBL1381965 0.89 SCN1A (0.49) PIK3C3SCN1ASCN5ASCN8ASMN1; SMN2
SCHEMBL1381446 0.81 PIK3C3 (0.54) PIK3C3MCL1MEP1BL3MBTL1SMN1; SMN2
SCHEMBL1379711 0.81 MEP1B (0.43) PIK3C3MCL1SCN1ASCN5ASCN8A
SCHEMBL3922924 0.76 SMN1; SMN2 (0.65) MCL1L3MBTL1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4504840 0.73 BRD4 (0.45) MCL1MEP1BSMN1; SMN2ALDH1A1LMNA
SCHEMBL4513103 0.73 SLC22A12 (0.47) MCL1MEP1BL3MBTL1LMNAMAPT
SCHEMBL3926949 0.72 ABL1 (0.49) MCL1MEP1BL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL4505859 0.72 BRD4 (0.47) MCL1MEP1BSMN1; SMN2ALDH1A1LMNA
SCHEMBL3937432 0.72 SMN1; SMN2 (0.47) MCL1MEP1BL3MBTL1SMN1; SMN2BRD4
SCHEMBL1378609 0.71 HSD11B1 (0.59) L3MBTL1SMN1; SMN2ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4809339-B2 2011-11-09 JP claimed
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 EP claimed
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 EP claimed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US claimed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP claimed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO claimed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 US claimed
EP-1763517-B1 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2011-05-11 EP disclosed
WO-2010121814-A1 PHARMACEUTICAL COMPOSITION, COMPRISING A STEROID-DEHYDROGENASE-REDUCTASE INHIBITOR, AND A MINERALOCORTICOID RECEPTOR ANTAGONIST ONTOCHEM GMBH (DE) 2010-10-28 WO disclosed
EP-2243494-A1 Pharmaceutical composition, comprising a steroid-dehydrogenase-reductase inhibitor, and a mineralocorticoid receptor antagonist. OntoChem GmbH (DE) 2010-10-27 EP disclosed
US-7507733-B2 11b-HSD1 inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1763517-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-03-21 EP disclosed
WO-2006000371-A2 PYRIMIDINE DERIVATIVES AS 11BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes F. HOFFMANN-LA ROCHE AG (CH) 2005-12-29 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-20050288308-A1 11B-HSD1 inhibitors for the treatment of diabetes HSD11B1, HSD17B1, HSD3B1 PIK3C3 4103/4885MCL1 4497/4885SCN1A 661/4885

“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.