SCHEMBL10077474

SCHEMBL10077474

CC(=O)NC(Cc1ccccc1)C(O)C(=O)NCCCS(=O)(=O)NCC(Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
CTSS P25774 5/20 0.38
CTSK P43235 4/20 0.38
SCN9A Q15858 2/20 0.37
JAK2 O60674 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KLK5 Q9Y337 1/20 0.36
APP P05067 2/20 0.36
AKT1 P31749 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
P4HB P07237 1/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL10078269 0.97 ATM (0.41) ATMCTSSCTSKSCN9AJAK2
SCHEMBL10077403 0.97 ATM (0.41) ATMCTSSCTSKSCN9AJAK2
SCHEMBL10078390 0.92 ATM (0.39) ATMCTSSCTSKSCN9AJAK2
SCHEMBL10078272 0.86 KLK5 (0.40) ATMCTSSCTSKSCN9AJAK2
SCHEMBL10074341 0.86 ATM (0.43) ATMCTSSCTSKSCN9AKLK5
SCHEMBL10074474 0.86 ATM (0.43) ATMCTSSCTSKSCN9AKLK5
SCHEMBL10078080 0.86 DPP4 (0.38)
SCHEMBL10074490 0.86 ATM (0.40) ATMCTSSCTSKSCN9AKLK5
SCHEMBL10078271 0.81 SCN9A (0.38) ATMCTSSCTSKSCN9AJAK2
SCHEMBL10074304 0.81 ATM (0.41) ATMCTSSCTSKSCN9AKLK5

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 ATM 3559/4885CTSS 43/4885CTSK 101/4885

“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.