SCHEMBL1996928

SCHEMBL1996928

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.49
MLNR O43193 2/20 0.47
KDM4E B2RXH2 1/20 0.46
RORC P51449 1/20 0.42
TGFBR1 P36897 7/20 0.41
CHRM4 P08173 1/20 0.40
CCR1 P32246 1/20 0.40

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
SCHEMBL1998237 0.89 MLNR (0.48) GPR119MLNRKDM4ERORCTGFBR1
SCHEMBL2000792 0.89 KDM4E (0.48) GPR119MLNRKDM4ETGFBR1
SCHEMBL1995580 0.88 MLNR (0.64) GPR119MLNRRORCTGFBR1
SCHEMBL2849498 0.88 MLNR (0.51) MLNRKDM4ERORCCHRM4CCR1
SCHEMBL2003105 0.87 MLNR (0.52) GPR119MLNRKDM4ERORCTGFBR1
SCHEMBL1999376 0.86 MLNR (0.54) GPR119MLNRKDM4ETGFBR1
SCHEMBL1995197 0.86 MLNR (0.63) GPR119MLNRTGFBR1CCR1
SCHEMBL1998342 0.86 MLNR (0.49) GPR119MLNRCCR1
SCHEMBL2003276 0.86 MLNR (0.49) GPR119MLNRCCR1
SCHEMBL1997571 0.84 GPR119 (0.48) GPR119CHRM4CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-7964597-B2 Piperazinyl-sulfonamide derivatives useful in the treatment of GPR38 receptor mediated diseases GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed
US-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD. 2010-10-07 US disclosed
WO-2009068552-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2009-06-04 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 (1 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-20100256364-A1 PIPERAZINYL-SULFONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GPR68, GPR88, GIPR GPR119 4/4885MLNR 12/4885KDM4E 4805/4885

“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.