SCHEMBL9951145

SCHEMBL9951145

CNCC(C(=O)O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.32
SLC6A2 P23975 1/20 0.32
CYP1A2 P05177 1/20 0.32
ADRB2 P07550 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KISS1R Q969F8 2/20 0.31
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
SCHEMBL4745233 0.79 CYP2D6 (0.50) GAACYP2D6CYP2C19
SCHEMBL21574920 0.77 SMN1; SMN2 (0.37) ANPEPADRB2SMN1; SMN2HIF1AALDH1A1
SCHEMBL859656 0.76 POLB (0.36) MAPTGAASMN1; SMN2CYP2D6CYP2C19
SCHEMBL20806864 0.74 ATM (0.36) MAPT
SCHEMBL28651642 0.74 SLC1A3 (0.36) MAPTTSHRALDH1A1PTGS1
SCHEMBL5682510 0.73 CYP2D6 (0.33) ANPEPKDM4EHSD17B10TDP1MAPT
SCHEMBL3419337 0.73 CPB2 (0.41) KDM4EHSD17B10GAABLMSMN1; SMN2
SCHEMBL13316605 0.72 OR51E2 (0.39) MAPTTSHRALDH1A1PTGS1
SCHEMBL2631146 0.72 CA2 (0.41) TDP1MAPTTSHRBLMALDH1A1
SCHEMBL12891264 0.72 CA2 (0.41) TDP1MAPTTSHRBLMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-8933104-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-01-13 US disclosed
US-20140329862-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2014-11-06 US disclosed
US-8809342-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-08-19 US disclosed
EP-2655331-A1 GLUCAGON RECEPTOR MODULATORS Pfizer Inc (US) 2013-10-30 EP disclosed
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 US disclosed
WO-2012085745-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-06-28 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 (4 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-20140329862-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 ANPEP 3014/4885KDM4E 3943/4885HSD17B10 1421/4885
US-20150094338-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 ANPEP 3014/4885KDM4E 3943/4885HSD17B10 1421/4885
US-20120165343-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 ANPEP 3014/4885KDM4E 3943/4885HSD17B10 1421/4885
US-20150266861-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 ANPEP 3014/4885KDM4E 3943/4885HSD17B10 1421/4885

“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.