SCHEMBL3863047

SCHEMBL3863047

CC(OC(=O)[C@H]1CCCC[C@@H]1C(=O)c1cccs1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ CCR5 P51681 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL3863050 1.00 SMN1; SMN2 (0.42) SMN1; SMN2TP53GAACCR5RAB9A
SCHEMBL1665342 0.84 HCAR2 (0.49) SMN1; SMN2GAARAB9ATSHRHSD17B10
SCHEMBL1665343 0.81 TAAR1 (0.53) SMN1; SMN2GAARAB9AALDH1A1MAPT
SCHEMBL14398956 0.76 HSD17B10 (0.47) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL3858877 0.76 GAA (0.54) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL3866711 0.76 GAA (0.54) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL6201226 0.76 GAA (0.54) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL6201220 0.76 GAA (0.54) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL13685721 0.74 PREP (0.44) SMN1; SMN2GAARAB9AALDH1A1NPC1
SCHEMBL3863056 0.74 PREP (0.44) SMN1; SMN2GAARAB9AALDH1A1NPC1

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
US-7592467-B2 Inhibitors of prolyl endopeptidase PROBIODRUG AG (DE) 2009-09-22 — — US disclosed
EP-1869008-A1 INHIBITORS OF PROLYL ENDOPEPTIDASE Probiodrug AG (DE) 2007-12-26 — — EP disclosed
WO-2006120104-A1 INHIBITORS OF PROLYL ENDOPEPTIDASE PROBIODRUG AG (DE) 2006-11-16 — — WO disclosed
US-20060229357-A1 Compounds PROBIODRUG AG 2006-10-12 — — 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-20060229357-A1 Compounds PREP, BACE1, MME SMN1; SMN2 2034/4885TP53 1331/4885GAA 10/4885

“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.

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