SCHEMBL6875812

SCHEMBL6875812

CC(C)(CN)CNC(=O)CC(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.39
CTSS P25774 3/20 0.39
CTSK P43235 3/20 0.39
GPR119 Q8TDV5 1/20 0.39
AAK1 Q2M2I8 1/20 0.37
DPP4 P27487 7/20 0.35
DPP8 Q6V1X1 3/20 0.35
DPP7 Q9UHL4 2/20 0.35
DPP9 Q86TI2 2/20 0.35
PTPN1 P18031 1/20 0.35
ATM Q13315 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL10078060 0.90 DPP4 (0.36) GPR119DPP4DPP8DPP7DPP9
SCHEMBL6875991 0.86 SIRT5 (0.40) SCN9ACTSSCTSKGPR119AAK1
SCHEMBL8270606 0.86 SCN9A (0.43) SCN9ACTSSCTSKGPR119AAK1
SCHEMBL10074995 0.85 SYK (0.42) CTSSCTSK
SCHEMBL6874637 0.83 SCN9A (0.45) SCN9ACTSSCTSKGPR119AAK1
SCHEMBL10054498 0.83 SCN9A (0.45) SCN9ACTSSCTSKGPR119AAK1
SCHEMBL2364410 0.82 CTSS (0.45) SCN9ACTSSCTSKGPR119AAK1
SCHEMBL1509219 0.82 CTSS (0.45) SCN9ACTSSCTSKGPR119AAK1
SCHEMBL10054447 0.82 CTSS (0.45) SCN9ACTSSCTSKGPR119AAK1
SCHEMBL10077514 0.82 SCN9A (0.38) SCN9ACTSSCTSKGPR119AAK1

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-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2012-10-11 US disclosed
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 US disclosed
WO-2011026781-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE IMTM GMBH (DE) 2011-03-10 WO disclosed
EP-2292589-A1 Novel multifunctional peptidase inhibitors, especially for medical use IMTM GmbH (DE) 2011-03-09 EP 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 (2 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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 SCN9A 4524/4885CTSS 43/4885CTSK 101/4885
US-20120258960-A1 NOVEL MULTIFUNCTIONAL PEPTIDASE INHIBITORS, ESPECIALLY FOR MEDICAL USE PEPD, CTSC, SERPINB1 SCN9A 2438/4885CTSS 61/4885CTSK 80/4885

“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.