SCHEMBL3202485

SCHEMBL3202485

CC(C)(C)OC(=O)NCCCC[C@@](NC(=O)N[C@H](CC1CCCCC1)C(=O)O)(C(=O)O)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.49
CTSK P43235 2/20 0.49
EPHX1 P07099 1/20 0.41
CPB2 Q96IY4 7/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HTRA1 Q92743 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
ITGB3 P05106 3/20 0.36
ITGA2B P08514 3/20 0.36
ACE P12821 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL3202464 0.81 CPB2 (0.52) CTSSCTSKEPHX1CPB2MEN1
SCHEMBL16945 0.78 CTSK (0.70) CTSSCTSKEPHX1CPB2KMT2A
SCHEMBL9742302 0.78 CTSK (0.70) CTSSCTSKEPHX1CPB2KMT2A
SCHEMBL9556128 0.78 CTSK (0.70) CTSSCTSKEPHX1CPB2KMT2A
SCHEMBL8283416 0.78 CTSK (0.70) CTSSCTSKEPHX1CPB2KMT2A
SCHEMBL482062 0.78 CTSK (0.70) CTSSCTSKEPHX1CPB2KMT2A
SCHEMBL9742291 0.78 CTSK (0.70) CTSSCTSKEPHX1CPB2KMT2A
SCHEMBL21427220 0.78 CTSK (0.70) CTSSCTSKEPHX1CPB2KMT2A
SCHEMBL21427213 0.78 CTSK (0.70) CTSSCTSKEPHX1CPB2KMT2A
SCHEMBL16946 0.78 CTSK (0.70) CTSSCTSKEPHX1CPB2KMT2A

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-8389764-B2 Urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-03-05 US disclosed
US-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2010-02-11 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-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINE1 CTSS 132/4885CTSK 209/4885EPHX1 1790/4885

“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.