SCHEMBL5337048

SCHEMBL5337048

Cc1ccc(S(=O)(=O)OC[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.55
CASP7 P55210 6/20 0.55
CASP9 P55211 1/20 0.52
RAB9A P51151 2/20 0.52
PAX8 Q06710 1/20 0.52
PSEN1 P49768 2/20 0.51
PSEN2 P49810 2/20 0.51
APH1B Q8WW43 2/20 0.51
NCSTN Q92542 2/20 0.51
APH1A Q96BI3 2/20 0.51
PSENEN Q9NZ42 2/20 0.51
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL8206528 1.00 CASP3 (0.55) CASP3CASP7CASP9RAB9APAX8
SCHEMBL8206525 1.00 CASP3 (0.55) CASP3CASP7CASP9RAB9APAX8
SCHEMBL10799289 0.96 PSEN1 (0.56) CASP3CASP7CASP9RAB9APAX8
SCHEMBL10799883 0.96 PSEN1 (0.56) CASP3CASP7CASP9RAB9APAX8
SCHEMBL12169307 0.89 CASP3 (0.64) CASP3CASP7CASP9RAB9APAX8
SCHEMBL15013035 0.89 CASP3 (0.64) CASP3CASP7CASP9RAB9APAX8
SCHEMBL15013036 0.89 CASP3 (0.64) CASP3CASP7CASP9RAB9APAX8
SCHEMBL13224014 0.84 GAA (0.45) CASP3CASP7RAB9ATSHRGAA
SCHEMBL19000604 0.84 PSEN1 (0.70) RAB9APAX8PSEN1PSEN2APH1B
SCHEMBL12169293 0.84 PSEN1 (0.70) RAB9APAX8PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 US disclosed
US-7256198-B2 Pyrimidoindolones and methods for using same WYETH (US) 2007-08-14 US disclosed
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke WYETH (US) 2005-11-10 US disclosed
EP-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed
EP-0404359-B1 Dibenzothiazepine derivatives useful as antispasmodic agents PFIZER LTD (GB) 1994-06-29 EP disclosed
US-5071844-A Antispasmodic agents PFIZER INC. (US) 1991-12-10 US disclosed
EP-0404359-A1 Dibenzothiazepine derivatives useful as antispasmodic agents Pfizer Limited (GB) 1990-12-27 EP 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-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME TYMP, DPYD, TYMS CASP3 8/4885CASP7 30/4885CASP9 47/4885
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke CASP1, API5, CASP8 CASP3 6/4885CASP7 8/4885CASP9 7/4885

“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.