SCHEMBL44722

SCHEMBL44722

O=S1(=O)CCN(N2CCS(=O)(=O)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22239356 0.85 CYP1A2 (0.35) RAB9AKMT2AMEN1CYP1A2
SCHEMBL17152619 0.83 ALDH1A1 (0.43) KMT2AMEN1KDM4EALDH1A1
SCHEMBL2423378 0.79
SCHEMBL209495 0.74
SCHEMBL2253832 0.74
SCHEMBL64228 0.73
SCHEMBL12360476 0.72 RAB9A (0.43) RAB9AKMT2AMEN1KDM4ENPC1
SCHEMBL2253836 0.72
SCHEMBL21498583 0.72
SCHEMBL15985155 0.72

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 230 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637546-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DDP-IV) ABBVIE INC. (US) 2014-01-28 US claimed
US-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC. 2013-03-07 US claimed
US-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 US claimed
JP-4712387-B2 2011-06-29 JP claimed
US-7880001-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2011-02-01 US claimed
EP-1560811-B9 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2008-03-05 EP claimed
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) MADAR DAVID J 2007-10-11 US claimed
EP-1560811-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2007-08-01 EP claimed
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 US claimed
US-20230167303-A1 COLOR MATCHED AND BRIGHT FLUORESCENT MATERIALS COMPOSED OF SMALL-MOLECULE IONIC LATTICES UNIVERSITY OF COPENHAGEN (DK) 2023-06-01 US disclosed
US-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-02 US disclosed
US-20210346502-A1 PROCESSES FOR PREPARING FUNCTIONALIZED CYCLOOCTENES TAMBO INC (US) 2021-11-11 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 US disclosed
US-20050261302-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme and their therapeutic application ABBOTT LABORATORIES 2005-11-24 US disclosed
US-20050245533-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenaseType 1 enzyme and their therapeutic application ABBOTT LABORATORIES 2005-11-03 US disclosed
US-20050245745-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES 2005-11-03 US disclosed
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2005-05-26 US disclosed
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2004-12-23 US disclosed
US-6833370-B1 Selectively controlling neurotransmitter release; such as n-((3)-1-(6-chloro-3-pyridinyl)pyrrolidinyl)-n-methylamine ABBOTT LABORATORIES 2004-12-21 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 (11 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-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 RAB9A 4266/4885KMT2A 1384/4885MEN1 3040/4885
US-20130059873-A1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) DPP4, DPP3, DPP7 RAB9A 4241/4885KMT2A 3404/4885MEN1 3576/4885
US-20050113576-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 RAB9A 2617/4885KMT2A 3095/4885MEN1 4636/4885
US-20210371398-A1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS MERTK, RET, ERBB2 RAB9A 1364/4885KMT2A 2442/4885MEN1 379/4885
US-20050245745-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 RAB9A 3918/4885KMT2A 2576/4885MEN1 1824/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 RAB9A 4266/4885KMT2A 1384/4885MEN1 3040/4885
US-20070238753-A1 Pharmaceutical Compositions as Inhibitors of Dipeptidyl Peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 RAB9A 4226/4885KMT2A 3383/4885MEN1 3547/4885
US-20040259843-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 RAB9A 4241/4885KMT2A 3404/4885MEN1 3576/4885
US-20210346502-A1 PROCESSES FOR PREPARING FUNCTIONALIZED CYCLOOCTENES PPOX, SCO2, CYCS RAB9A 3170/4885KMT2A 4707/4885MEN1 2903/4885
US-20050245533-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenaseType 1 enzyme and their therapeutic application HSD11B1, HSD17B1, HSD3B1 RAB9A 3988/4885KMT2A 2859/4885MEN1 2533/4885
US-20050261302-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme and their therapeutic application HSD11B1, HSD17B1, HSD3B1 RAB9A 4031/4885KMT2A 3064/4885MEN1 2126/4885

“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.