SCHEMBL2495600

SCHEMBL2495600

Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)nc3)[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.37
GPR119 Q8TDV5 7/20 0.36
HSD11B1 P28845 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
STS P08842 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
NAMPT P43490 1/20 0.34
NR1H2 P55055 1/20 0.33

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
SCHEMBL2495603 1.00 MMP13 (0.37) MMP13GPR119HSD11B1LMNAMAPT
SCHEMBL7948136 0.82 LMNA (0.39) LMNAMAPTCHRNB2CHRNA4NAMPT
SCHEMBL2495504 0.80 CHRNB2 (0.41) CHRNB2CHRNA4
SCHEMBL22371748 0.78 MMP13 (0.44) MMP13GPR119HSD11B1STSNR1H2
SCHEMBL2500396 0.71 HSD11B1 (0.47) MMP13GPR119HSD11B1
SCHEMBL2500393 0.71 HSD11B1 (0.47) MMP13GPR119HSD11B1
SCHEMBL2497881 0.70 CHRNB2 (0.39) GPR119CHRNB2CHRNA4
SCHEMBL2496001 0.70 CHRNB2 (0.39) GPR119CHRNB2CHRNA4
SCHEMBL2496002 0.70 CHRNB2 (0.39) GPR119CHRNB2CHRNA4
SCHEMBL31640324 0.70 CHRM2 (0.51) GPR119HSD11B1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030300-B2 2-pyrrolidinyloxy-substituted pyridine; Alzheimer's disease, Parkinson's disease, dyskinesias, Tourette's syndrome, schizophrenia, attention deficit disorder, anxiety, pain, depression, obsessive compulsive disorder GEORGETOWN UNIVERSITY (US) 2011-10-04 US disclosed
US-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them GEORGETOWN UNIVERSITY (US) 2008-06-05 US 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-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them CHRNA5, OPRL1, TAAR5 MMP13 4260/4885GPR119 110/4885HSD11B1 2519/4885

“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.