SCHEMBL13577832

SCHEMBL13577832

CCCCOC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.52
CTSS P25774 3/20 0.50
NOD1 Q9Y239 3/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CAPN1 P07384 1/20 0.41

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
SCHEMBL12369655 1.00 CTSK (0.52) CTSKCTSSNOD1ITGB3ITGA2B
SCHEMBL12228690 1.00 CTSK (0.52) CTSKCTSSNOD1ITGB3ITGA2B
SCHEMBL7284831 0.96 NOD1 (0.52) CTSKCTSSNOD1ITGB3ITGA2B
SCHEMBL21805585 0.95 NOD1 (0.54) CTSKCTSSNOD1ITGB3ITGA2B
SCHEMBL2222627 0.90 CTSK (0.46) CTSKCTSSNOD1ITGB3ITGA2B
SCHEMBL16552413 0.90 CTSK (0.52) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL7065541 0.90 CTSK (0.46) CTSKCTSSNOD1ITGB3ITGA2B
SCHEMBL10308623 0.89 CTSK (0.46) CTSKCTSSNOD1ITGB3ITGA2B
SCHEMBL16383330 0.88 CTSK (0.51) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL18916451 0.88 CTSK (0.49) CTSKCTSSNOD1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688645-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2017-06-27 US disclosed
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-09-01 US disclosed
US-9309207-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2016-04-12 US disclosed
US-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-01-28 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
EP-2300462-B1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI SA (FR) 2014-05-21 EP disclosed
US-8722655-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of tafia SANOFI (FR) 2014-05-13 US disclosed
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI (FR) 2014-02-06 US disclosed
US-8580777-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2013-11-12 US disclosed
WO-2009146802-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2009-12-10 WO 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 (4 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-20160024033-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 CTSK 123/4885CTSS 68/4885NOD1 1676/4885
US-20140039011-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 CTSK 123/4885CTSS 68/4885NOD1 1676/4885
US-20140206760-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 CTSK 126/4885CTSS 71/4885NOD1 1649/4885
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA TFPI, TFPI2, SERPINC1 CTSK 123/4885CTSS 68/4885NOD1 1676/4885

“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.