SCHEMBL6402117

SCHEMBL6402117

CC(C)S(=O)(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 16/20 0.53
KDM4E B2RXH2 2/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 1/20 0.48
GPR119 Q8TDV5 1/20 0.46

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
SCHEMBL124646 0.85 TGFBR1 (0.55) TGFBR1KDM4EPKMMAPTGPR119
SCHEMBL29160799 0.84 TGFBR1 (0.54) TGFBR1KDM4EPKMMAPTGPR119
SCHEMBL20771440 0.84 KDM4E (0.57) TGFBR1KDM4EPKMMAPTGPR119
SCHEMBL19916747 0.83 TGFBR1 (0.46) TGFBR1KDM4EPKMMAPTGPR119
SCHEMBL7653397 0.82 GPR119 (0.56) MAPTGPR119
SCHEMBL26665931 0.82 TGFBR1 (0.53) TGFBR1KDM4EPKMMAPTGPR119
SCHEMBL5573225 0.81 KDM4E (0.63) TGFBR1KDM4EPKMGPR119
SCHEMBL13059914 0.81 KDM4E (0.56) TGFBR1KDM4EPKMMAPTGPR119
SCHEMBL13821493 0.81 MGLL (0.38) TGFBR1
SCHEMBL627965 0.79 KDM4E (0.60) TGFBR1KDM4EPKMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 US disclosed
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 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-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR TGFBR1 1661/4885KDM4E 421/4885PKM 2962/4885
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 TGFBR1 371/4885KDM4E 470/4885PKM 3864/4885

“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.