SCHEMBL3898375

SCHEMBL3898375

Cc1ccc(S(=O)(=O)O[C@H](C#N)C2CCC(N)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 4/20 0.34
CYP1A2 P05177 2/20 0.34
ENPP3 O14638 2/20 0.33
ENPP1 P22413 2/20 0.33
ENPP2 Q13822 2/20 0.33
ACHE P22303 1/20 0.33
KDM1A O60341 2/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C19 P33261 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
ALDH1A1 P00352 4/20 0.32
TDP1 Q9NUW8 3/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 2/20 0.32

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
SCHEMBL2425502 0.88 CYP2D6 (0.43) CYP2D6CYP1A2ENPP3ENPP1ENPP2
SCHEMBL22260936 0.83 ACHE (0.43) SMN1; SMN2CYP2D6CYP1A2ENPP3ENPP1
SCHEMBL2420932 0.83 ALDH1A1 (0.43) LMNACYP2D6CYP1A2ENPP3ENPP1
SCHEMBL22262236 0.80 HPN (0.40) CYP2D6CYP1A2ACHECYP3A4CYP2C19
SCHEMBL3454507 0.72 CYP2D6 (0.44) LMNASMN1; SMN2CYP2D6CYP1A2ENPP3
SCHEMBL1437607 0.70 GAA (0.43) SMN1; SMN2CYP2D6CYP1A2ACHECYP3A4
SCHEMBL20595031 0.70 CYP2D6 (0.52) LMNASMN1; SMN2CYP2D6CYP1A2ENPP3
SCHEMBL1629443 0.69 ALDH1A1 (0.42) LMNASMN1; SMN2CYP2D6CYP1A2CYP3A4
SCHEMBL17874040 0.67 TSHR (0.43) SMN1; SMN2CYP2D6CYP1A2ENPP3ENPP1
SCHEMBL28425268 0.67 GLA (0.33) LMNACYP2D6CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799639-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2013-09-04 EP disclosed
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-7524844-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-04-28 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 US disclosed
US-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACETUCALS, S.A. 2006-06-29 US 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-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation DPP4, DPP3, DPP7 LMNA 3608/4885SMN1; SMN2 4277/4885CYP2D6 332/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 LMNA 3344/4885SMN1; SMN2 4297/4885CYP2D6 647/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 LMNA 3344/4885SMN1; SMN2 4297/4885CYP2D6 647/4885

“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.