SCHEMBL10078090

SCHEMBL10078090

CC(C)(C)OC(=O)NC(Cc1cc(F)ccc1F)CS(=O)(=O)NCCCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.38
AAK1 Q2M2I8 1/20 0.38
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
DPP4 P27487 3/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
ATM Q13315 2/20 0.34
JAK2 O60674 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL10077521 0.85 SCN9A (0.45) SCN9AAAK1CTSSCTSKPTPN1
SCHEMBL10054481 0.84 ATM (0.45) SCN9AAAK1CTSSCTSKPTPN1
SCHEMBL10077065 0.84 SCN9A (0.39) SCN9AAAK1CTSSCTSKPTPN1
SCHEMBL10054504 0.83 SCN9A (0.40) SCN9AAAK1CTSSCTSKPTPN1
SCHEMBL6875991 0.83 SIRT5 (0.40) SCN9AAAK1CTSSCTSKPTPN1
SCHEMBL10078084 0.82 KLK5 (0.43) SCN9APTPN1ALDH1A1ATMJAK2
SCHEMBL10078272 0.82 KLK5 (0.40) SCN9ACTSSCTSKPTPN1ALDH1A1
SCHEMBL10054498 0.81 SCN9A (0.45) SCN9AAAK1CTSSCTSKPTPN1
SCHEMBL6874637 0.81 SCN9A (0.45) SCN9AAAK1CTSSCTSKPTPN1
SCHEMBL10078271 0.80 SCN9A (0.38) SCN9ACTSSCTSKPTPN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS IMTM GMBH (DE) 2012-02-02 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-20120028995-A1 NOVEL COMPOUNDS FOR MEDICAL USE AS PEPTIDASE EFFECTORS SERPINB1, CMA1, CPA3 SCN9A 4524/4885AAK1 3587/4885CTSS 43/4885

“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.