SCHEMBL1852822

SCHEMBL1852822

CS(=O)(=O)c1cccc(Cc2cc3c(F)ccc(-c4cccc(C(=O)NCC(N)=O)c4)c3s2)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 8/20 0.73
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM1A O60341 1/20 0.38
CHRM3 P20309 1/20 0.37
ROCK2 O75116 1/20 0.36
KAT6A Q92794 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 2/20 0.34
CCR1 P32246 1/20 0.34
PARP1 P09874 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL1848566 0.88 GPR52 (0.59) GPR52ALDH1A1GAAHSD17B10KDM1A
SCHEMBL3222957 0.87 GPR52 (0.71) GPR52ALDH1A1GAAHSD17B10CHRM3
SCHEMBL3217946 0.87 GPR52 (0.79) GPR52KDM1AKLKB1
SCHEMBL1850479 0.86 GPR52 (0.53) GPR52ALDH1A1GAAHSD17B10KAT6A
SCHEMBL3210446 0.85 GPR52 (1.00) GPR52
SCHEMBL1851664 0.82 GPR52 (0.51) GPR52ALDH1A1SMN1; SMN2
SCHEMBL3209104 0.82 GPR52 (0.72) GPR52KDM1AKLKB1
SCHEMBL1851499 0.81 GPR52 (0.65) GPR52ALDH1A1GAAHSD17B10KDM1A
SCHEMBL3209910 0.80 GPR52 (0.69) GPR52KDM1AMAPK1
SCHEMBL1853046 0.78 GPR52 (0.86) GPR52GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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 (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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885ALDH1A1 2005/4885GAA 4210/4885

“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.