SCHEMBL2217445

SCHEMBL2217445

CC(C)(C)OC(=O)NC(C(=O)O)C(Cc1ccccc1)SCCNC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
SYK P43405 1/20 0.49
CTSS P25774 3/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
PPARA Q07869 1/20 0.44
ATM Q13315 2/20 0.44
KLK7 P49862 1/20 0.44
KLK5 Q9Y337 1/20 0.44
ACE P12821 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IDO1 P14902 1/20 0.43
CYP3A4 P08684 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
APP P05067 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4602404 0.79 MAPT (0.60) MAPTSYKCTSSCTSLCTSB
SCHEMBL30962415 0.79 MAPT (0.60) MAPTSYKCTSSCTSLCTSB
SCHEMBL6621271 0.79 MAPT (0.60) MAPTSYKCTSSCTSLCTSB
SCHEMBL1024713 0.79 MAPT (0.60) MAPTSYKCTSSCTSLCTSB
SCHEMBL2216735 0.79 SLC1A3 (0.53) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL2215841 0.78 PPARA (0.63) MAPTSYKCTSSPPARAKLK7
SCHEMBL7384616 0.78 MAPT (0.53) MAPTSYKCTSSCTSLCTSB
SCHEMBL1429551 0.78 PPARA (0.63) MAPTSYKCTSSPPARAKLK7
SCHEMBL6766498 0.78 PPARA (0.63) MAPTSYKCTSSPPARAKLK7
SCHEMBL10825320 0.78 MAPT (0.55) MAPTSYKCTSSCTSKPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-9126955-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2015-09-08 US disclosed
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-07-24 US disclosed
US-8722655-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of tafia SANOFI (FR) 2014-05-13 US disclosed
US-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2011-07-21 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 (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-20110178130-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINC1 MAPT 3434/4885SYK 2772/4885CTSS 68/4885
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 MAPT 3439/4885SYK 2760/4885CTSS 71/4885

“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.