SCHEMBL5337430

SCHEMBL5337430

COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C1(OCCCO1)C(=O)N2

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 19/20 0.62
CASP7 P55210 18/20 0.62
CASP9 P55211 1/20 0.62
CASP1 P29466 3/20 0.52

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
SCHEMBL5333108 1.00 CASP3 (0.62) CASP3CASP7CASP9CASP1
SCHEMBL5339051 0.97 CASP3 (0.66) CASP3CASP7CASP9CASP1
SCHEMBL14563326 0.87 CASP3 (0.46) CASP3CASP7CASP9CASP1
SCHEMBL5338401 0.87 CASP3 (0.65) CASP3CASP7CASP9CASP1
SCHEMBL5332866 0.86 LOX (0.51) CASP3CASP7CASP9CASP1
SCHEMBL8307728 0.85 CASP3 (0.68) CASP3CASP7CASP9CASP1
SCHEMBL6947728 0.85 CASP3 (0.68) CASP3CASP7CASP9CASP1
SCHEMBL5426555 0.82 CASP3 (0.47) CASP3CASP7CASP9CASP1
SCHEMBL3681388 0.77 CASP3 (1.00) CASP3CASP7CASP9CASP1
SCHEMBL30657493 0.77 CASP3 (1.00) CASP3CASP7CASP9CASP1

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-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 US disclosed
US-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 US disclosed
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-7256198-B2 Pyrimidoindolones and methods for using same WYETH (US) 2007-08-14 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
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
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

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.