SCHEMBL4893854

SCHEMBL4893854

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)c(-c2ccccc2)c(C(=O)O)n3Cc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 6/20 1.00
NR1I2 O75469 2/20 0.55
IKBKB O14920 1/20 0.48
PTPN5 P54829 1/20 0.48
MAPK8 P45983 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.46
PPARG P37231 2/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
BRD4 O60885 1/20 0.44

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
SCHEMBL4887004 0.91 SERPINE1 (1.00) SERPINE1NR1I2MAPK8MEN1KMT2A
SCHEMBL4891579 0.90 SERPINE1 (0.86) SERPINE1NR1I2MAPK8PPARG
SCHEMBL4892537 0.87 SERPINE1 (1.00) SERPINE1NR1I2MAPK8MEN1KMT2A
SCHEMBL4982359 0.87 SERPINE1 (0.92) SERPINE1MAPK8PPARG
SCHEMBL4890974 0.86 SERPINE1 (0.75) SERPINE1NR1I2IKBKBPTPN5MEN1
SCHEMBL4884146 0.85 SERPINE1 (1.00) SERPINE1NR1I2MAPK8PPARG
SCHEMBL4980302 0.83 SERPINE1 (1.00) SERPINE1PPARG
SCHEMBL4884301 0.80 SERPINE1 (0.80) SERPINE1MAPK8
SCHEMBL5437310 0.80 SERPINE1 (0.79) SERPINE1MAPK8MEN1KMT2AALDH1A1
SCHEMBL4886086 0.79 SERPINE1 (0.65) SERPINE1NR1I2IKBKBMEN1KMT2A

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 9 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
US-20050096377-A1 Substituted sulfonamide-indoles WYETH (US) 2005-05-05 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 (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 4706/4885NR1I2 2069/4885IKBKB 1436/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 SERPINE1 4706/4885NR1I2 2069/4885IKBKB 1436/4885

“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.