SCHEMBL1995580

SCHEMBL1995580

C[C@H]1CN(Cc2ccc(NS(=O)(=O)c3ccc(N4CCCCC4)nc3)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLNR O43193 2/20 0.64
GPR119 Q8TDV5 5/20 0.47
TGFBR1 P36897 5/20 0.45
HDAC1 Q13547 1/20 0.42
LMNA P02545 1/20 0.41
RORC P51449 1/20 0.40
RET P07949 2/20 0.39
MAP4K4 O95819 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL1999376 0.92 MLNR (0.54) MLNRGPR119TGFBR1HDAC1LMNA
SCHEMBL2849659 0.89 MLNR (0.70) MLNRLMNARORCTP53MAPT
SCHEMBL1996928 0.88 GPR119 (0.49) MLNRGPR119TGFBR1RORC
SCHEMBL1998342 0.83 MLNR (0.49) MLNRGPR119
SCHEMBL1995197 0.83 MLNR (0.63) MLNRGPR119TGFBR1
SCHEMBL2003276 0.83 MLNR (0.49) MLNRGPR119
SCHEMBL1995581 0.82 MLNR (0.62) MLNRLMNATP53MAPTPOLB
SCHEMBL2849480 0.81 MLNR (0.58) MLNRLMNAMAPTPOLB
SCHEMBL2002043 0.81 MLNR (0.46) MLNRGPR119TGFBR1
SCHEMBL1997045 0.80 MLNR (0.48) MLNRGPR119

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 12/4885GPR119 4/4885TGFBR1 2174/4885

“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.