SCHEMBL8300403

SCHEMBL8300403

COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cc(Cl)ccc2OC)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
KMT2A Q03164 2/20 0.67
PKM P14618 1/20 0.62
CASP6 P55212 1/20 0.62
LMNA P02545 5/20 0.61
MAPT P10636 5/20 0.61
HPGD P15428 1/20 0.61
HCRTR1 O43613 2/20 0.56
HCRTR2 O43614 2/20 0.56
ALDH1A1 P00352 2/20 0.55
ATM Q13315 1/20 0.54
MCOLN3 Q8TDD5 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL8302596 0.92 CASP6 (0.60) HTTKMT2APKMCASP6LMNA
SCHEMBL8299130 0.81 CASP6 (0.51) HTTKMT2APKMCASP6LMNA
SCHEMBL3364018 0.74 MAPT (0.62) KMT2ALMNAMAPTHPGDALDH1A1
SCHEMBL3364021 0.74 MAPT (0.62) KMT2ALMNAMAPTHPGDALDH1A1
SCHEMBL18958907 0.74 PKM (0.70) HTTKMT2APKMLMNAMAPT
SCHEMBL3369096 0.73 OXTR (0.74) KMT2ALMNAMAPTHPGDHCRTR1
SCHEMBL3366536 0.73 OXTR (0.74) KMT2ALMNAMAPTHPGDHCRTR1
SCHEMBL18958914 0.73 PKM (0.68) HTTPKMLMNAMAPTHPGD
SCHEMBL21033437 0.73 PKM (0.67) HTTKMT2APKMLMNAMAPT
SCHEMBL21033375 0.72 PKM (0.66) KMT2APKMLMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037779-A2 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS USED FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 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-20070037785-A1 Novel dipeptidyl peptidase IV inhibitors used for functionally influencing different cells and treating immunological, infammatory, neuronal, and other diseases DNPEP, PREP, DPP4 HTT 1551/4885KMT2A 4135/4885PKM 2595/4885

“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.