SCHEMBL4152234

SCHEMBL4152234

CCC(C(C)=O)C(=O)NCCc1cccs1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.57
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TAAR1 Q96RJ0 2/20 0.49
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
BRD4 O60885 1/20 0.46
LMNA P02545 1/20 0.46
HSD11B1 P28845 1/20 0.46

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
SCHEMBL12329283 0.90 ADAM17 (0.59) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL13851576 0.89 ADAM17 (0.55) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL4138479 0.83 ADAM17 (0.54) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL7904577 0.81 ADAM17 (0.64) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL863136 0.79 NPC1 (0.66) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL4140361 0.78 ADAM17 (0.58) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL9208913 0.78 ADAM17 (0.61) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL4161376 0.77 ADAM17 (0.51) ADAM17NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL4149806 0.77 POLB (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5251770 0.76 NPC1 (0.62) ADAM17NPC1RAB9ASMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADAM17 649/4885NPC1 503/4885RAB9A 1457/4885

“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.