SCHEMBL3109923

SCHEMBL3109923

CCOC(=O)c1cc(Br)sc1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.50
MAPK1 P28482 1/20 0.50
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.44
KDM4E B2RXH2 3/20 0.44
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
ALDH1A1 P00352 8/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 7/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 3/20 0.41
ALOX15 P16050 2/20 0.41

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
SCHEMBL20269597 0.83 GAA (0.49) GAAMAPK1TSHRSMN1; SMN2KDM4E
SCHEMBL3100139 0.83 GAA (0.49) GAAMAPK1TSHRSMN1; SMN2KDM4E
SCHEMBL3107224 0.78 GAA (0.48) GAAMAPK1TSHRSMN1; SMN2KDM4E
SCHEMBL3094886 0.76 GAA (0.43) GAAMAPK1TSHRSMN1; SMN2KDM4E
SCHEMBL3106503 0.76 GAA (0.47) GAAMAPK1TSHRSMN1; SMN2KDM4E
SCHEMBL20723582 0.76 KDM4E (0.48) GAAMAPK1TSHRSMN1; SMN2KDM4E
SCHEMBL23413574 0.75 GAA (0.54) GAATSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL3099361 0.75 GAA (0.52) GAAMAPK1TSHRSMN1; SMN2KDM4E
SCHEMBL3102165 0.75 GAA (0.46) GAAMAPK1TSHRSMN1; SMN2KDM4E
SCHEMBL20028533 0.74 ALDH1A1 (0.56) GAATSHRSMN1; SMN2KDM4EALDH1A1

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.