SCHEMBL3107224

SCHEMBL3107224

CCOC(=O)c1cc(C=O)sc1CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 2/20 0.43
LMNA P02545 5/20 0.43
KDM4E B2RXH2 4/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ALDH1A1 P00352 7/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALOX15 P16050 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL12204918 0.81 GAA (0.63) GAAMAPK1TSHRLMNAKDM4E
SCHEMBL3109923 0.78 GAA (0.50) GAAMAPK1TSHRLMNAKDM4E
SCHEMBL3106503 0.74 GAA (0.47) GAAMAPK1TSHRLMNAKDM4E
SCHEMBL3099361 0.73 GAA (0.52) GAAMAPK1TSHRLMNAKDM4E
SCHEMBL3102165 0.73 GAA (0.46) GAAMAPK1TSHRLMNAKDM4E
SCHEMBL11764805 0.72 CYP2A6 (0.39) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL6663907 0.72 HPGD (0.43) GAAMAPK1LMNAKDM4EALDH1A1
SCHEMBL6479861 0.70 GABRA1 (0.51) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL3095216 0.70 GAA (0.46) GAAMAPK1TSHRLMNAKDM4E
SCHEMBL346578 0.69 TSHR (0.67) GAAMAPK1TSHRLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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 (1 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR GAA 2233/4885MAPK1 567/4885TSHR 60/4885

“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.