SCHEMBL2552895

SCHEMBL2552895

Cc1nc(S(=O)(=O)C2CC2)ccc1N

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.33
F2 P00734 1/20 0.31
PRSS1 P07477 1/20 0.31
FEN1 P39748 1/20 0.31
RIPK1 Q13546 1/20 0.30

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
SCHEMBL2554578 0.79 COMT (0.35) TXNRD1F2PRSS1RIPK1
SCHEMBL4516145 0.76 CA12 (0.44)
SCHEMBL945673 0.76 G6PD (0.36)
SCHEMBL12241629 0.68 CA12 (0.58) FEN1RIPK1
SCHEMBL12186152 0.68 GPR119 (0.40)
SCHEMBL18136461 0.68 PDE10A (0.38) FEN1RIPK1
SCHEMBL25519699 0.67 SMN1; SMN2 (0.42) FEN1
SCHEMBL12241625 0.67 ALDH1A1 (0.42)
SCHEMBL28265035 0.67 NPC1 (0.39) RIPK1
SCHEMBL5020942 0.65 CA12 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382203-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2015-01-14 EP disclosed
US-8907095-B2 Bicyclic heterocycle derivatives and their use as modulators of the activity of GPR119 MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-8907095-B2 Bicyclic heterocycle derivatives and their use as modulators of the activity of GPR119 MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-8410122-B2 Bicyclic heterocycle derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2013-04-02 US disclosed
US-8410122-B2 Bicyclic heterocycle derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2013-04-02 US disclosed
EP-2556056-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2013-02-13 EP disclosed
EP-2217596-B1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
US-20130023494-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-01-24 US disclosed
US-20110263624-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2011-10-27 US disclosed
US-20110263624-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2011-10-27 US disclosed
WO-2011127051-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-13 WO disclosed
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 US disclosed
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 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 (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-20130023494-A1 MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO GPR119, SLC5A2, SLC5A1 TXNRD1 2234/4885F2 4847/4885PRSS1 1652/4885
US-20110263624-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, BDKRB2 TXNRD1 2060/4885F2 2405/4885PRSS1 3318/4885
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 TXNRD1 3181/4885F2 4650/4885PRSS1 3891/4885

“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.