SCHEMBL5428199

SCHEMBL5428199

CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cn3cc(C(=O)O)c4ccccc43)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
SERPINE1 P05121 1/20 0.54
MAPK1 P28482 1/20 0.54
PTPN5 P54829 1/20 0.53
CHRM1 P11229 3/20 0.53
GHSR Q92847 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
UQCRB P14927 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HDAC3 O15379 2/20 0.47
HDAC11 Q96DB2 2/20 0.47

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
SCHEMBL5427166 0.88 CHRM1 (0.56) NR1I2SERPINE1CHRM1LMNAUQCRB
SCHEMBL5430473 0.87 NR1I2 (0.51) NR1I2SERPINE1PTPN5GHSRLMNA
SCHEMBL4359539 0.86 L3MBTL1 (0.70) L3MBTL1SERPINE1MAPK1CHRM1LMNA
SCHEMBL3429738 0.79 CHRM1 (0.65) L3MBTL1MAPK1CHRM1LMNAALDH1A1
SCHEMBL28575852 0.77 SLC22A12 (0.62) L3MBTL1SERPINE1MAPK1CHRM1LMNA
SCHEMBL5419821 0.76 SERPINE1 (0.51) NR1I2SERPINE1CHRM1ALDH1A1UQCRB
SCHEMBL3564989 0.75 PTPN5 (0.57) SERPINE1PTPN5GHSRLMNAALDH1A1
SCHEMBL1606606 0.74 LMNA (0.80) L3MBTL1MAPK1CHRM1LMNAALDH1A1
SCHEMBL5422761 0.74 EPHX2 (0.60) NR1I2SERPINE1PTPN5GHSRLMNA
SCHEMBL31693410 0.73 TP53 (0.67) L3MBTL1MAPK1CHRM1LMNAALDH1A1

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
US-20070299125-A1 Substituted indoles WYETH (US) 2007-12-27 US claimed
US-7268159-B2 Substituted indoles WYETH (US) 2007-09-11 US claimed
EP-1670758-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AND THEIR USE AS PAI-1 INHIBITORS Wyeth (US) 2006-06-21 EP claimed
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 US claimed
US-20050113438-A1 Substituted indoles WYETH (US) 2005-05-26 US claimed
WO-2005030717-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AND THEIR USE AS PAI-1 INHIBITORS WYETH (US) 2005-04-07 WO claimed
US-20070299125-A1 Substituted indoles WYETH (US) 2007-12-27 US disclosed
US-7268159-B2 Substituted indoles WYETH (US) 2007-09-11 US disclosed
EP-1670758-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AND THEIR USE AS PAI-1 INHIBITORS Wyeth (US) 2006-06-21 EP disclosed
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 US disclosed
US-20050113438-A1 Substituted indoles WYETH (US) 2005-05-26 US disclosed
WO-2005030717-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AND THEIR USE 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 (3 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-20070299125-A1 Substituted indoles IDO2, IDO1, INMT NR1I2 2141/4885L3MBTL1 1992/4885SERPINE1 4834/4885
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 NR1I2 327/4885L3MBTL1 2991/4885SERPINE1 1/4885
US-20050113438-A1 Substituted indoles IDO2, IDO1, INMT NR1I2 2141/4885L3MBTL1 1992/4885SERPINE1 4834/4885

“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.