SCHEMBL10289999

SCHEMBL10289999

CC(C)(C)OC(=O)NC[C@@H](NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.68
CTSS P25774 6/20 0.49
CTSL P07711 3/20 0.49
CTSK P43235 4/20 0.47
MAPT P10636 1/20 0.47
CTSB P07858 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
PPARA Q07869 1/20 0.45
ATM Q13315 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL13174964 1.00 SYK (0.68) SYKCTSSCTSLCTSKMAPT
SCHEMBL11015320 0.90 SYK (0.67) SYKCTSSCTSLCTSKMAPT
SCHEMBL2723154 0.88 SYK (0.71) SYKCTSSCTSLCTSKMAPT
SCHEMBL2725000 0.88 SYK (0.71) SYKCTSSCTSLCTSKMAPT
SCHEMBL2723152 0.88 SYK (0.71) SYKCTSSCTSLCTSKMAPT
SCHEMBL2723123 0.86 SYK (0.71) SYKCTSSCTSLCTSKMAPT
SCHEMBL2723119 0.86 SYK (0.71) SYKCTSSCTSLCTSKMAPT
SCHEMBL2723729 0.85 SYK (0.73) SYKCTSSCTSLCTSKMAPT
SCHEMBL18493990 0.85 SYK (0.73) SYKCTSSCTSLCTSKMAPT
SCHEMBL17340558 0.85 SYK (0.73) SYKCTSSCTSLCTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 US disclosed
US-9469638-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2016-10-18 US disclosed
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2016-01-07 US disclosed
US-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2015-03-05 US disclosed
US-8865907-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2014-10-21 US disclosed
EP-2620436-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG Shionogi&Co., Ltd. (JP) 2013-07-31 EP disclosed
EP-2444400-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-04-25 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-20150065485-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 SYK 4839/4885CTSS 354/4885CTSL 287/4885
US-20160002211-A1 METHOD OF PRODUCING PYRONE AND PYRIDONE DERIVATIVES PNPO, PDXK, CYP3A5 SYK 2911/4885CTSS 3492/4885CTSL 3259/4885

“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.