Sugi Predict

Sugi Predict / Compounds / SCHEMBL4882789

SCHEMBL4882789

SCHEMBL4882789

CC(C)C[C@H](NC(=O)c1c(-c2ccccc2)c2cc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)ccc2n1C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 5/20 0.56
▸ NTSR1 P30989 2/20 0.46
▸ MMP2 P08253 3/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ PDE3A Q14432 1/20 0.44
▸ MMP13 P45452 2/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CA2 P00918 4/20 0.41
▸ CA1 P00915 3/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41

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
SCHEMBL4886763 0.93 SERPINE1 (0.60) SERPINE1NTSR1ALDH1A1CA2CA1
SCHEMBL4889556 0.90 SERPINE1 (0.61) SERPINE1NTSR1MMP2PTGDR2MMP9
SCHEMBL4886332 0.90 SERPINE1 (0.61) SERPINE1MMP2PTGDR2PDE3AMMP13
SCHEMBL4891950 0.83 SERPINE1 (0.71) SERPINE1PTGDR2PDE3ALMNA
SCHEMBL4886086 0.82 SERPINE1 (0.65) SERPINE1MMP9ALDH1A1
SCHEMBL27665103 0.80 SERPINE1 (0.56) SERPINE1NTSR1
SCHEMBL27665105 0.80 SERPINE1 (0.56) SERPINE1NTSR1
SCHEMBL27644321 0.76 SERPINE1 (0.46) SERPINE1NTSR1MMP2MMP9
SCHEMBL3201141 0.75 NTSR1 (0.75) NTSR1
SCHEMBL4890974 0.75 SERPINE1 (0.75) SERPINE1ALDH1A1

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 426/4885MMP2 4537/4885
US-20050096377-A1 Substituted sulfonamide-indoles STS, TPST2, IDO2 SERPINE1 4706/4885NTSR1 426/4885MMP2 4537/4885

“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.