SCHEMBL2003105

SCHEMBL2003105

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(Cl)nc3)cc2C(F)(F)F)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MLNR O43193 2/20 0.52
TGFBR1 P36897 3/20 0.40
GPR119 Q8TDV5 3/20 0.40
KCNH2 Q12809 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MGLL Q99685 2/20 0.39
SETD7 Q8WTS6 1/20 0.39
AR P10275 1/20 0.38
RORC P51449 1/20 0.37

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 0.90 MLNR (0.48) MLNRTGFBR1GPR119KCNH2KDM4E
SCHEMBL2849665 0.90 MLNR (0.55) MLNRKCNH2KDM4EMGLLAR
SCHEMBL2003109 0.88 MLNR (0.69) MLNRTGFBR1GPR119KCNH2MGLL
SCHEMBL1996928 0.87 GPR119 (0.49) MLNRTGFBR1GPR119KDM4ERORC
SCHEMBL1999247 0.79 MLNR (0.67) MLNRTGFBR1GPR119KCNH2MGLL
SCHEMBL2851448 0.79 MLNR (0.52) MLNRKCNH2KDM4EMGLLRORC
SCHEMBL13085684 0.78 MLNR (0.52) MLNRTGFBR1GPR119KCNH2SETD7
SCHEMBL18921938 0.78 MGLL (0.47) GPR119KDM4EMGLLSETD7
SCHEMBL2851975 0.78 MLNR (0.74) MLNRKCNH2MGLLAR
SCHEMBL2003107 0.77 MLNR (0.47) MLNRKDM4E

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 MLNR 12/4885TGFBR1 2174/4885GPR119 4/4885

“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.