SCHEMBL4152723

SCHEMBL4152723

CCCc1c(C)nc(-c2cccc(F)c2O)n(CCc2cccs2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 15/20 0.60
NR1I2 O75469 5/20 0.60
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL4147697 0.89 CASR (0.58) CASRNR1I2ADORA2AADORA2BADORA1
SCHEMBL4148084 0.85 CASR (0.65) CASRNR1I2
SCHEMBL4134967 0.84 CASR (0.83) CASRNR1I2
SCHEMBL5028324 0.83 CASR (0.54) CASRNR1I2ADORA2AADORA2BADORA1
SCHEMBL4140461 0.83 CASR (0.75) CASRNR1I2
SCHEMBL13851575 0.83 CASR (0.41) CASRNR1I2ADORA2AADORA2BADORA1
SCHEMBL4148873 0.82 CASR (0.56) CASRNR1I2ADORA2AADORA2BADORA1
SCHEMBL4144594 0.81 CASR (0.60) CASRNR1I2ALDH1A1
SCHEMBL4144890 0.80 CASR (0.59) CASRNR1I2
SCHEMBL4144575 0.80 CASR (0.58) CASRNR1I2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US claimed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP claimed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO claimed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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 (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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB CASR 12/4885NR1I2 3373/4885ADORA2A 2889/4885

“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.