SCHEMBL4664975

SCHEMBL4664975

O=S(=O)(NCN1CCCC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
SIGMAR1 Q99720 6/20 0.50
PKM P14618 2/20 0.50
KEAP1 Q14145 1/20 0.50
GBA1 P04062 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR7 P34969 2/20 0.49
MAPT P10636 1/20 0.48
MBTD1 Q05BQ5 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL4957448 0.98 ATM (0.54) ATMALDH1A1KDM4EPOLBSIGMAR1
Trifluoroacetic Acid SCHEMBL4920012 0.88 ATM (0.49) ATMALDH1A1KDM4EPOLBSIGMAR1
SCHEMBL4441885 0.85 GBA1 (0.50) ATMALDH1A1KDM4EPOLBPKM
SCHEMBL3362277 0.85 KMT2A (0.56) ALDH1A1KDM4EPOLBPKMLMNA
SCHEMBL6568486 0.83 SIGMAR1 (0.72) ALDH1A1KDM4ESIGMAR1PKMLMNA
SCHEMBL4196782 0.81 SIGMAR1 (0.73) KDM4ESIGMAR1LMNASMN1; SMN2HTR7
SCHEMBL5198457 0.80 HTR7 (0.74) ALDH1A1KDM4EPOLBSIGMAR1PKM
SCHEMBL8349568 0.76 ALDH1A1 (0.79) ALDH1A1KDM4EPKMKEAP1GBA1
SCHEMBL16720141 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EPKMKEAP1GBA1
SCHEMBL14025542 0.73 ALDH1A1 (0.68) ATMALDH1A1KDM4EPOLBKEAP1

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
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP claimed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 WO claimed
US-20080275086-A1 Dpp-Iv Inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2008-11-06 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
EP-1613304-B1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS CH (CH) 2007-09-12 EP disclosed
EP-1702916-A1 DPP-IV inhibitors Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2006-09-20 EP disclosed
EP-1613304-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2006-01-11 EP disclosed
EP-1604662-A1 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 diabetes mellitus Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2005-12-14 EP disclosed
WO-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed
EP-1541143-A1 DPP-IV INHIBITORS Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-06-15 EP 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 ATM 4787/4885ALDH1A1 376/4885KDM4E 964/4885
US-20080275086-A1 Dpp-Iv Inhibitors DPP4, DPP7, DPP3 ATM 4662/4885ALDH1A1 715/4885KDM4E 556/4885
US-20080176838-A1 Dpp-IV Inhibitors DPP4, DPP9, DPP7 ATM 4683/4885ALDH1A1 382/4885KDM4E 409/4885

“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.