SCHEMBL5115646

SCHEMBL5115646

CC(C)(C)OC(=O)NC1CCN(c2cc(F)c(C#N)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.50
DPP4 P27487 1/20 0.48
KCNA3 P22001 1/20 0.47
KDM4D Q6B0I6 4/20 0.44
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
DRD2 P14416 1/20 0.43
SUV39H2 Q9H5I1 4/20 0.43
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
AAK1 Q2M2I8 2/20 0.42
RET P07949 1/20 0.42
PARP1 P09874 1/20 0.41
PDE4B Q07343 1/20 0.40

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
SCHEMBL14277283 0.91 CTSK (0.44) CTSKDPP4KCNA3KDM4DCKS1B
SCHEMBL14277272 0.89 KCNA3 (0.43) CTSKDPP4KCNA3KDM4DCKS1B
SCHEMBL5220499 0.86 KDM4D (0.53) CTSKKCNA3KDM4DCKS1BSKP1
SCHEMBL14301964 0.85 CKS1B (0.46) CTSKKCNA3KDM4DCKS1BSKP1
SCHEMBL5221881 0.84 CTSK (0.48) CTSKKCNA3KDM4DCKS1BSKP1
SCHEMBL5217212 0.83 NPY5R (0.52) CTSKKCNA3KDM4DCKS1BSKP1
SCHEMBL5110528 0.82 KCNA3 (0.43) CTSKDPP4KCNA3KDM4DDRD2
SCHEMBL5202966 0.80 CTSK (0.53) CTSKDPP4KCNA3KDM4DCKS1B
SCHEMBL25597599 0.80 SUV39H2 (0.57) CTSKDPP4KDM4DDRD2SUV39H2
SCHEMBL21397261 0.80 SUV39H2 (0.51) KDM4DCKS1BSKP1SKP2DRD2

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-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329764-B2 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
EP-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 US disclosed
EP-1651629-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-05-03 EP disclosed
US-20050038104-A1 Substitute benzothiophene compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-17 US disclosed
WO-2005012283-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
US-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity SMITHKLINE BEECHAM CORPORATION 2004-12-02 US disclosed
EP-1399433-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-24 EP disclosed
WO-2003002553-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 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 (2 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-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity DPP4, DPP7, DPP3 CTSK 174/4885DPP4 1/4885KCNA3 4745/4885
US-20050038104-A1 Substitute benzothiophene compounds TST, SULT1E1, LTC4S CTSK 1198/4885DPP4 2330/4885KCNA3 3530/4885

“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.