SCHEMBL2371712

SCHEMBL2371712

NC(=O)[C@@H]1CC[C@H](NC(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.43
TSHR P16473 1/20 0.41
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 1/20 0.32
EPHX2 P34913 1/20 0.32
FASN P49327 2/20 0.32
BTK Q06187 1/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL7448778 1.00 MME (0.43) MMETSHRPOLBSMN1; SMN2KDM4E
SCHEMBL7073774 1.00 MME (0.43) MMETSHRPOLBSMN1; SMN2KDM4E
SCHEMBL2405013 1.00 MME (0.43) MMETSHRPOLBSMN1; SMN2KDM4E
SCHEMBL5659137 1.00 MME (0.43) MMETSHRPOLBSMN1; SMN2KDM4E
SCHEMBL12814592 1.00 MME (0.43) MMETSHRPOLBSMN1; SMN2KDM4E
SCHEMBL572230 0.89 TSHR (0.49) MMETSHRPOLBSMN1; SMN2KDM4E
SCHEMBL482185 0.89 TSHR (0.49) MMETSHRPOLBSMN1; SMN2KDM4E
SCHEMBL482184 0.89 TSHR (0.49) MMETSHRPOLBSMN1; SMN2KDM4E
SCHEMBL3404489 0.88 BTK (0.44) MMETSHRSMN1; SMN2KDM4EMAPT
SCHEMBL2370831 0.88 BTK (0.44) MMETSHRSMN1; SMN2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
US-8802711-B2 TRPV1 antagonists ABBVIE INC. (US) 2014-08-12 US disclosed
EP-2688866-A1 TRPV1 ANTAGONISTS AbbVie Inc. (US) 2014-01-29 EP disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP disclosed
WO-2012134943-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2012-10-04 WO disclosed
US-20120245163-A1 TRPV1 Antagonists ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 WO disclosed
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists MERCK SHARP & DOHME CORP. 2007-12-20 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 (5 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 MME 4298/4885TSHR 2738/4885POLB 960/4885
US-20070293515-A1 1,3-Disubstituted Heteroaryl Nmda/Nr2b Antagonists GRIN2B, GRIN2A, GRIN1 MME 2830/4885TSHR 1532/4885POLB 1409/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 MME 4298/4885TSHR 2738/4885POLB 960/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 MME 4298/4885TSHR 2738/4885POLB 960/4885
US-20120245163-A1 TRPV1 Antagonists TRPV1, TRPV3, TRPV6 MME 1442/4885TSHR 2103/4885POLB 4834/4885

“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.