SCHEMBL10059226

SCHEMBL10059226

CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.60
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
YAP1 P46937 1/20 0.47
GPR119 Q8TDV5 2/20 0.45
TMPRSS11D O60235 1/20 0.45
MMP13 P45452 2/20 0.44
MMP1 P03956 1/20 0.44
ACHE P22303 1/20 0.44
MMP2 P08253 1/20 0.44
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
DTYMK P23919 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
P2RX7 Q99572 1/20 0.42

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
SCHEMBL10058129 0.90 STS (0.56) STSYAP1TMPRSS11DP2RX7
SCHEMBL10058290 0.84 TMPRSS11D (0.59) STSTMPRSS11D
SCHEMBL10058131 0.83 ITGB3 (0.52) ITGB3ITGA2BTMPRSS11DTSHR
SCHEMBL12969028 0.82 STS (0.54) STSITGB3ITGA2BGPR119TMPRSS11D
SCHEMBL12969029 0.82 STS (0.54) STSITGB3ITGA2BGPR119TMPRSS11D
SCHEMBL19390223 0.82 TMPRSS11D (0.52) STSITGB3ITGA2BTMPRSS11DMMP13
SCHEMBL6436536 0.82 TMPRSS11D (0.52) STSITGB3ITGA2BTMPRSS11DMMP13
SCHEMBL10058288 0.81 TMPRSS11D (0.54) ITGB3ITGA2BTMPRSS11D
SCHEMBL12969037 0.81 TMPRSS11D (0.49) STSITGB3ITGA2BGPR119TMPRSS11D
SCHEMBL19390407 0.81 TMPRSS11D (0.49) STSITGB3ITGA2BGPR119TMPRSS11D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655399-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-09-27 EP disclosed
US-8497245-B2 Trypsin-like serine protease inhibitors, their preparation and use as selective inhibitors of the clotting factors IIa and Xa THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-07-30 US disclosed
US-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-10-04 US disclosed
WO-2012083436-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-06-28 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 (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-20120252743-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, THEIR PREPARATION AND USE AS SELECTIVE INHIBITORS OF THE CLOTTING FACTORS IIA AND XA F2, F12, SERPINC1 STS 54/4885ITGB3 1060/4885ITGA2B 1310/4885

“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.