SCHEMBL6000176

SCHEMBL6000176

Cn1c(C(=O)O)cc2cc(NS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MCL1 Q07820 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
GPR35 Q9HC97 1/20 0.44
THRB P10828 1/20 0.43
GFER P55789 1/20 0.43
SRD5A2 P31213 1/20 0.43
BRPF1 P55201 5/20 0.42
PTPN11 Q06124 1/20 0.41
SERPINE1 P05121 1/20 0.41
BRD4 O60885 1/20 0.41
BRD1 O95696 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
BRPF3 Q9ULD4 1/20 0.41
PHGDH O43175 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
SCHEMBL6001539 0.86 RXFP1 (0.57) SMN1; SMN2MAPK1RXFP1THRB
SCHEMBL6001714 0.83 MAPT (0.51) KDM4EHPGDSMN1; SMN2MAPK1RXFP1
SCHEMBL6000253 0.83 RXFP1 (0.48) SMN1; SMN2RXFP1THRB
SCHEMBL6001713 0.82 SERPINE1 (0.49) SMN1; SMN2MAPK1GPR35SERPINE1
SCHEMBL6001817 0.81 MAPK1 (0.43) SMN1; SMN2MAPK1RXFP1THRBBRPF1
SCHEMBL6001762 0.79 SERPINE1 (0.67) GPR35SERPINE1
SCHEMBL6002236 0.78 SERPINE1 (0.43) SMN1; SMN2MAPK1PTPN11SERPINE1
SCHEMBL6001828 0.76 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2MAPK1RXFP1BRPF1
SCHEMBL6002221 0.76 ECE1 (0.52) BRPF1SERPINE1
SCHEMBL6001987 0.75 SMN1; SMN2 (0.41) KDM4EALDH1A1SMN1; SMN2MAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP claimed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP claimed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US claimed
JP-2003508382-A 2003-03-04 JP claimed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP claimed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 WO claimed
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP disclosed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP disclosed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US disclosed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US disclosed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 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-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors PPP4C, PTPRO, PTPRS KDM4E 569/4885ALDH1A1 4477/4885HPGD 3891/4885

“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.