SCHEMBL1305754

SCHEMBL1305754

CC(C)(C)OC(=O)C12CCC(NC(=O)OCc3ccccc3)(CC1)CC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.46
CTSB P07858 4/20 0.45
CTSS P25774 4/20 0.45
CTSL P07711 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTSK P43235 4/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL31454371 0.90 SYK (0.53) SYKCTSBCTSSCTSLSMN1; SMN2
SCHEMBL1305698 0.87 CHRM1 (0.50) CTSBCTSSCTSLSMN1; SMN2MEN1
SCHEMBL1308680 0.85 CTSL (0.46) CTSBCTSSCTSLSMN1; SMN2MEN1
SCHEMBL19189058 0.85 SYK (0.47) SYKCTSBCTSSCTSLSMN1; SMN2
SCHEMBL22394860 0.84 SYK (0.43) SYKCTSBCTSSCTSLSMN1; SMN2
SCHEMBL2394376 0.84 CTSS (0.53) SYKCTSBCTSSCTSLSMN1; SMN2
SCHEMBL1305844 0.83 CTSL (0.48) CTSBCTSSCTSLSMN1; SMN2NPC1
SCHEMBL27231928 0.82 SYK (0.53) SYKCTSBCTSSCTSLSMN1; SMN2
SCHEMBL10152374 0.82 SYK (0.48) SYKCTSBCTSSCTSLSMN1; SMN2
SCHEMBL7352450 0.81 CTSS (0.60) SYKCTSBCTSSCTSLSMN1; SMN2

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
EP-1712547-B1 BICYCLOESTER DERIVATIVE KYORIN SEIYAKU KK (JP) 2011-12-14 EP disclosed
US-8053465-B2 Bicycloester derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-11-08 US disclosed
US-7754757-B2 Bicycloester derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20100093825-A1 Bicycloester derivative FUKUDA YASUMICHI 2010-04-15 US disclosed
US-20080146818-A1 Dipeptidylpeptidase IV (DPP-IV) inhibitory activity; (2S,4S)-1-[[N-(4-ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile)); diabetes KYORIN PHARMACEUTICAL CO., LTD. (JP) 2008-06-19 US disclosed
EP-1712547-A1 BICYCLOESTER DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2006-10-18 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 (2 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-20100093825-A1 Bicycloester derivative DPP4, DPP7, DPP3 SYK 4170/4885CTSB 1041/4885CTSS 644/4885
US-20080146818-A1 Dipeptidylpeptidase IV (DPP-IV) inhibitory activity; (2S,4S)-1-[[N-(4-ethoxycarbonylbicyclo[2.2.2]oct-1-yl)amino]acetyl]-4-fluoropyrrolidine-2-carbonitrile)); diabetes DPP4, DPP7, DPP3 SYK 4444/4885CTSB 392/4885CTSS 360/4885

“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.