SCHEMBL7447397

SCHEMBL7447397

C=CCC(NC(=O)OC(C)(C)C)C(=O)CBr

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
CTSK P43235 11/20 0.42
CTSS P25774 7/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
ACE P12821 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL20109261 0.86 SMN1; SMN2 (0.47) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL7519614 0.86 SMN1; SMN2 (0.44) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL4038634 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL4038638 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL10256486 0.84 SMN1; SMN2 (0.45) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL2728681 0.83 CTSK (0.47) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL212773 0.83 CTSK (0.47) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL212772 0.83 CTSK (0.47) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL15083313 0.83 SMN1; SMN2 (0.49) SMN1; SMN2CTSKCTSSCA1CA2
SCHEMBL16289367 0.83 SMN1; SMN2 (0.49) SMN1; SMN2CTSKCTSSCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882734-B1 DIHYDROPYRIDONE AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-12 EP disclosed
US-9376444-B2 Dihydropyridone P1 as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-06-28 US disclosed
US-20150166550-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-06-18 US disclosed
EP-2882734-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2015-06-17 EP disclosed
US-20140038969-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-02-06 US disclosed
WO-2014022766-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-06 WO disclosed
US-20020165222-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-11-07 US disclosed
EP-1153022-A4 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
EP-1153022-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-14 EP disclosed
WO-2000049011-A1 PROTHEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-24 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 (3 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-20140038969-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3526/4885CTSK 275/4885CTSS 570/4885
US-20020165222-A1 Protease inhibitors CTSK, CTSZ, CTSE SMN1; SMN2 4763/4885CTSK 1/4885CTSS 8/4885
US-20150166550-A1 DIHYDROPYRIDONE P1 AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 SMN1; SMN2 3526/4885CTSK 275/4885CTSS 570/4885

“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.