SCHEMBL3089509

SCHEMBL3089509

CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1c1cc(N)ccc1S(=O)(=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.39
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LGMN Q99538 2/20 0.34
ALDH1A1 P00352 2/20 0.33
SHMT2 P34897 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PKM P14618 1/20 0.33
PTPN1 P18031 1/20 0.33
NR1H3 Q13133 1/20 0.33
STS P08842 1/20 0.33
HTT P42858 1/20 0.33
NQO1 P15559 1/20 0.33

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
SCHEMBL11349880 1.00 NR1H2 (0.39) NR1H2CTSLCTSBCTSSCTSK
SCHEMBL3081562 1.00 NR1H2 (0.39) NR1H2CTSLCTSBCTSSCTSK
SCHEMBL11348674 1.00 NR1H2 (0.39) NR1H2CTSLCTSBCTSSCTSK
SCHEMBL3077408 1.00 NR1H2 (0.39) NR1H2CTSLCTSBCTSSCTSK
SCHEMBL3074448 1.00 NR1H2 (0.39) NR1H2CTSLCTSBCTSSCTSK
SCHEMBL3074449 1.00 NR1H2 (0.39) NR1H2CTSLCTSBCTSSCTSK
SCHEMBL3089693 0.91 NR1H2 (0.41) NR1H2CTSLCTSBCTSSCTSK
SCHEMBL3074566 0.91 NR1H2 (0.41) NR1H2CTSLCTSBCTSSCTSK
SCHEMBL3074571 0.91 NR1H2 (0.41) NR1H2CTSLCTSBCTSSCTSK
SCHEMBL8224134 0.91 NR1H2 (0.41) NR1H2CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 EP disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 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-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 NR1H2 2020/4885CTSL 318/4885CTSB 298/4885

“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.