SCHEMBL4756229

SCHEMBL4756229

CC(C)(NS(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1cnn[nH]1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 8/20 0.44
GPR119 Q8TDV5 1/20 0.44
RET P07949 1/20 0.41
CNR2 P34972 1/20 0.40
AR P10275 1/20 0.39
PARP1 P09874 4/20 0.38
PPARG P37231 1/20 0.36
CHRM1 P11229 1/20 0.36
SMO Q99835 1/20 0.36

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
SCHEMBL5020140 0.85 GRIN2D (0.36) GPR119RET
SCHEMBL5020141 0.85 GPR119 (0.41) PANK3GPR119RETCNR2PPARG
SCHEMBL20997913 0.80 GAA (0.33) GPR119RET
SCHEMBL5020139 0.75 HSD11B1 (0.45)
SCHEMBL941941 0.73 GPR119 (0.61) PANK3GPR119RETPARP1SMO
SCHEMBL6807074 0.71 GPR119 (0.56) PANK3GPR119RETPARP1SMO
SCHEMBL5466689 0.69 HSD11B1 (0.48) PANK3GPR119PARP1CHRM1SMO
SCHEMBL12631518 0.68 PANK3 (0.54) PANK3GPR119CNR2SMO
SCHEMBL12640412 0.68 HSD11B1 (0.49) PANK3GPR119CNR2PARP1SMO
SCHEMBL18386536 0.68 PANK3 (0.69) PANK3RETCNR2PARP1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008147763-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-12-04 WO claimed
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2008147763-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-12-04 WO disclosed
WO-2008147763-A1 MMP INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-12-04 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 (5 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-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PANK3 1981/4885GPR119 1547/4885RET 1211/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PANK3 1981/4885GPR119 1547/4885RET 1211/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PANK3 1981/4885GPR119 1547/4885RET 1211/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PANK3 1981/4885GPR119 1547/4885RET 1211/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PANK3 1981/4885GPR119 1547/4885RET 1211/4885

“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.