SCHEMBL7429012

SCHEMBL7429012

CC(C)C(N[C]=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
PLA2G2A P14555 1/20 0.35
PLA2G5 P39877 1/20 0.35
TP53 P04637 1/20 0.35
SLC7A5 Q01650 1/20 0.35
KDM4E B2RXH2 1/20 0.34
FPR2 P25090 1/20 0.34
MMP2 P08253 5/20 0.33
MMP3 P08254 5/20 0.33
MMP9 P14780 5/20 0.33
MMP13 P45452 5/20 0.33
MMP1 P03956 4/20 0.33
MMP7 P09237 4/20 0.33
ADAMTS4 O75173 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL27625246 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL15904132 0.83 TP53 (0.39) ALDH1A1TP53
SCHEMBL4119105 0.78 HPGDS (0.31)
SCHEMBL8024023 0.78 ALDH1A1 (0.53) ALDH1A1FPR2
SCHEMBL8610882 0.76 CA14 (0.52) SMN1; SMN2GAA
SCHEMBL3201070 0.76 CA14 (0.52) SMN1; SMN2GAA
SCHEMBL7402568 0.75 DPP4 (0.32) ALDH1A1
SCHEMBL3669533 0.74
SCHEMBL9112672 0.73 ELANE (0.34) MMP2MMP9MMP13MMP1
SCHEMBL3208489 0.72 MGAM (0.38) ALDH1A1LMNAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US claimed
WO-2014200882-A1 PDE10a INHIBITORS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2014-12-18 WO claimed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US claimed
CN-1416425-A 1,5-bemzothiazepines and their use as hypolipidaemics ASTRAZENECA AB (SE) 2003-05-07 CN claimed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
EP-2948450-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals, Inc. (US) 2015-12-02 EP disclosed
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
WO-2014117090-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-07-31 WO disclosed
CN-1416425-A 1,5-bemzothiazepines and their use as hypolipidaemics ASTRAZENECA AB (SE) 2003-05-07 CN disclosed
WO-1999026933-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 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 (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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO SMN1; SMN2 1142/4885ALDH1A1 289/4885LMNA 4266/4885
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A SMN1; SMN2 3681/4885ALDH1A1 381/4885LMNA 1417/4885

“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.