SCHEMBL4743569

SCHEMBL4743569

O=S(=O)(NC[C@@H]1CCCN1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.59
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.52
PKM P14618 2/20 0.50
HTR6 P50406 2/20 0.49
CTSL P07711 3/20 0.48
CTSK P43235 3/20 0.48
DPP4 P27487 1/20 0.47
KEAP1 Q14145 1/20 0.47
CTSB P07858 2/20 0.46
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL14282764 0.95 KMT2A (0.58) GBA1KMT2AALDH1A1KDM4EGAA
SCHEMBL14102424 0.85 HTR6 (0.51) KMT2AALDH1A1PKMHTR6MEN1
SCHEMBL14375100 0.85 SLC12A2 (0.52) KMT2AALDH1A1HTR6MEN1LMNA
SCHEMBL14102431 0.85 GBA1 (0.42) GBA1KMT2AALDH1A1HTR6MEN1
SCHEMBL8272556 0.84 HTR6 (0.55) ALDH1A1HTR6SMN1; SMN2
SCHEMBL19234423 0.84 HTR6 (0.45) GBA1KMT2AALDH1A1HTR6DPP4
SCHEMBL14102428 0.84 SMN1; SMN2 (0.46) GBA1KMT2AALDH1A1KDM4EGAA
SCHEMBL8272554 0.82 MCOLN3 (0.44) ALDH1A1HTR6CTSLCTSKDPP4
SCHEMBL8274387 0.81 POLB (0.50) KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL21713911 0.80 HTR6 (0.53) GBA1KMT2APKMHTR6DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
US-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 US disclosed
WO-2008093960-A1 NOVEL DIPEPTIDYL PEPTIDASE-IV INHIBITORS LG LIFE SCIENCES, LTD. (KR) 2008-08-07 WO disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080176838-A1 Dpp-IV Inhibitors SANTHERA PHARMACEUTICALS (DEUTSCHLAND) AG (DE) 2008-07-24 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
US-20080027035-A1 Dpp-Iv Inhibitors GRAFFINITY PHARMACEUTICALS AG (DE) 2008-01-31 US disclosed
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
CN-101005835-A 1-[(3r)-amino-4-(2-fluoro-phenyl)-butyl]-pyrrolidine-(2r)-carboxylic acid-benzyl amine derivatives and related compounds as dipeptidyl-peptidase iv (dpp-iv) inhibitors for the treatment of type 2 diab SANTHERA PHARMACEUTICALS CH (CH) 2007-07-25 CN disclosed
CN-1905868-A DPP-IV inhibitors GRAFFINITY PHARMACEUTICALS AG (CH) 2007-01-31 CN disclosed
EP-1702916-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-09-20 EP disclosed
WO-2005120494-A1 1-`(3R)-AMINO-4-(2-FLUORO-PHENYL)-BUTYL !-PYRROLIDINE-(2R)-CARBOXILIC ACID-BENZYL AMINE DERIVATIVES AND RELATED COMPOUNDS AS DIPEPTIDYL-PEPTIDASE IV (DPP-IV) INHIBITORS FOR THE TREATMENT OF TYPE 2 DIABETES MELLITUS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2005-12-22 WO disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 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-20080027035-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 GBA1 923/4885KMT2A 2156/4885ALDH1A1 376/4885
US-20080275086-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 GBA1 1799/4885KMT2A 3197/4885ALDH1A1 715/4885
US-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 GBA1 1727/4885KMT2A 1391/4885ALDH1A1 382/4885

“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.