SCHEMBL4890974

SCHEMBL4890974

Cn1c(C(=O)O)c(-c2ccccc2)c2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.75
ALDH1A1 P00352 3/20 0.54
PTPN5 P54829 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.48
NR1I2 O75469 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
BRD4 O60885 1/20 0.48
UQCRB P14927 2/20 0.47
HSD17B2 P37059 1/20 0.46
IKBKB O14920 1/20 0.45
HDAC3 O15379 2/20 0.45

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
SCHEMBL4891950 0.91 SERPINE1 (0.71) SERPINE1MEN1KMT2APOLBCYP2C9
SCHEMBL4893854 0.86 SERPINE1 (1.00) SERPINE1ALDH1A1PTPN5MEN1KMT2A
SCHEMBL4887483 0.85 SERPINE1 (0.75) SERPINE1MAPTHDAC3HDAC11HDAC8
SCHEMBL4886086 0.84 SERPINE1 (0.65) SERPINE1ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL4886763 0.84 SERPINE1 (0.60) SERPINE1ALDH1A1PTPN5MEN1KMT2A
SCHEMBL4891579 0.77 SERPINE1 (0.86) SERPINE1NR1I2
SCHEMBL3984770 0.77 SERPINE1 (0.58) SERPINE1ALDH1A1PTPN5MEN1KMT2A
SCHEMBL3945167 0.77 BRD4 (0.61) SERPINE1ALDH1A1PTPN5MEN1KMT2A
Dimethylamine SCHEMBL4931369 0.75 BRD4 (0.59) SERPINE1ALDH1A1PTPN5MEN1KMT2A
SCHEMBL4886332 0.75 SERPINE1 (0.61) SERPINE1MEN1KMT2AMAPTNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES WYETH (US) 2008-12-25 US claimed
US-7442805-B2 Substituted sulfonamide-indoles WYETH (US) 2008-10-28 US claimed
JP-2007506769-A 2007-03-22 JP claimed
EP-1667969-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS Wyeth (US) 2006-06-14 EP claimed
US-20050096377-A1 Substituted sulfonamide-indoles WYETH (US) 2005-05-05 US claimed
WO-2005030715-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS WYETH (US) 2005-04-07 WO claimed
US-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES WYETH (US) 2008-12-25 US disclosed
US-7442805-B2 Substituted sulfonamide-indoles WYETH (US) 2008-10-28 US disclosed
EP-1667969-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS Wyeth (US) 2006-06-14 EP disclosed
US-20050096377-A1 Substituted sulfonamide-indoles WYETH (US) 2005-05-05 US disclosed
WO-2005030715-A1 SUBSTITUTED SULFONAMIDE-INDOLE-2-CARBOXYLIC ACID DERIVATIVES AS PAI-1 INHIBITORS WYETH (US) 2005-04-07 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 (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-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES STS, TPST2, IDO2 SERPINE1 4706/4885ALDH1A1 442/4885PTPN5 1158/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 SERPINE1 4706/4885ALDH1A1 442/4885PTPN5 1158/4885

“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.