SCHEMBL10058129

SCHEMBL10058129

CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.56
TMPRSS11D O60235 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
P2RX7 Q99572 8/20 0.47
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NTSR1 P30989 1/20 0.45
YAP1 P46937 2/20 0.45
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL10059226 0.90 STS (0.60) STSTMPRSS11DP2RX7YAP1
SCHEMBL10058290 0.80 TMPRSS11D (0.59) STSTMPRSS11D
SCHEMBL12969028 0.79 STS (0.54) STSTMPRSS11DMEN1KMT2AMAPT
SCHEMBL12969029 0.79 STS (0.54) STSTMPRSS11DMEN1KMT2AMAPT
SCHEMBL12969037 0.78 TMPRSS11D (0.49) STSTMPRSS11D
SCHEMBL19390407 0.78 TMPRSS11D (0.49) STSTMPRSS11D
SCHEMBL10058280 0.77 CASP1 (0.50)
SCHEMBL1842426 0.77 MEN1 (0.61) STSMEN1KMT2AMAPTNPSR1
SCHEMBL19390361 0.76 STS (0.47) STSTMPRSS11DKMT2A
SCHEMBL19390362 0.76 STS (0.47) STSTMPRSS11DKMT2A

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 54/4885TMPRSS11D 49/4885MEN1 980/4885

“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.