SCHEMBL4886763

SCHEMBL4886763

CC(C)C[C@H](NC(=O)c1c(-c2ccccc2)c2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2n1C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.60
NTSR1 P30989 2/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NR1I2 O75469 1/20 0.42
MAPT P10636 1/20 0.41
PTPN5 P54829 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CA2 P00918 2/20 0.40
HIF1A Q16665 1/20 0.40
CA1 P00915 1/20 0.40
BRD4 O60885 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
SCHEMBL4882789 0.93 SERPINE1 (0.56) SERPINE1NTSR1ALDH1A1CA2CA1
SCHEMBL4886086 0.90 SERPINE1 (0.65) SERPINE1ALDH1A1MEN1CYP1A2POLB
SCHEMBL27665105 0.89 SERPINE1 (0.56) SERPINE1NTSR1NPSR1MAPT
SCHEMBL27665103 0.89 SERPINE1 (0.56) SERPINE1NTSR1NPSR1MAPT
SCHEMBL4889556 0.88 SERPINE1 (0.61) SERPINE1NTSR1MAPT
SCHEMBL4890974 0.84 SERPINE1 (0.75) SERPINE1ALDH1A1MEN1CYP1A2POLB
SCHEMBL4886332 0.82 SERPINE1 (0.61) SERPINE1MEN1KMT2ANR1I2MAPT
SCHEMBL27644868 0.79 SERPINE1 (0.58) SERPINE1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL27644871 0.79 SERPINE1 (0.58) SERPINE1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL4891950 0.76 SERPINE1 (0.71) SERPINE1MEN1POLBCYP2C9CYP2C19

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
US-20080319046-A1 SUBSTITUTED SULFONAMIDE-INDOLES WYETH (US) 2008-12-25 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 4706/4885NTSR1 426/4885ALDH1A1 442/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 SERPINE1 4706/4885NTSR1 426/4885ALDH1A1 442/4885

“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.