SCHEMBL3301419

SCHEMBL3301419

CC(C)(C)OC(=O)N1CCCN(c2ccc(I)nn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.54
SKP1 P63208 2/20 0.54
SKP2 Q13309 2/20 0.54
GPR119 Q8TDV5 6/20 0.53
MAP4K4 O95819 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PDE10A Q9Y233 1/20 0.46
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CDK2 P24941 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
GALR2 O43603 1/20 0.42
GALR1 P47211 1/20 0.42
RET P07949 1/20 0.41

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
SCHEMBL16427561 0.95 GPR119 (0.57) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL31106285 0.85 CKS1B (0.54) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL18081409 0.85 CKS1B (0.54) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL18291258 0.85 CKS1B (0.54) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL20306398 0.81 GPR119 (0.55) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL29793368 0.81 GPR119 (0.55) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL20255261 0.80 L3MBTL1 (0.49) GPR119MEN1KMT2AMAPTALDH1A1
SCHEMBL18937654 0.80 GPR119 (0.63) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL1995431 0.80 MAP4K4 (0.58) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL31271932 0.80 GPR119 (0.54) CKS1BSKP1SKP2GPR119MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 CKS1B 268/4885SKP1 242/4885SKP2 1115/4885

“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.