SCHEMBL16019033

SCHEMBL16019033

COC(=O)[C@H](C[C@H](C)O)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.49
▸ CTSK P43235 7/20 0.48
▸ CTSS P25774 5/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA7 P43166 1/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KLK5 Q9Y337 1/20 0.43
▸ PSEN1 P49768 2/20 0.43
▸ PSEN2 P49810 2/20 0.43
▸ APH1B Q8WW43 2/20 0.43
▸ NCSTN Q92542 2/20 0.43

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
SCHEMBL56907 0.88 CTSL (0.60) CTSLCTSKCTSSCTSBCA1
SCHEMBL55832 0.88 CTSL (0.60) CTSLCTSKCTSSCTSBCA1
SCHEMBL55833 0.88 CTSL (0.60) CTSLCTSKCTSSCTSBCA1
SCHEMBL30556945 0.87 CTSK (0.44) CTSLCTSKCTSSCTSBCA1
SCHEMBL6168773 0.87 CTSK (0.48) CTSLCTSKCTSSCTSBCA1
SCHEMBL30557068 0.87 CTSK (0.44) CTSLCTSKCTSSCTSBCA1
SCHEMBL19000135 0.87 CTSK (0.48) CTSLCTSKCTSSCTSBCA1
SCHEMBL16021035 0.87 CTSK (0.44) CTSLCTSKCTSSCTSBCA1
SCHEMBL1318454 0.87 CTSK (0.48) CTSLCTSKCTSSCTSBCA1
SCHEMBL6168769 0.87 CTSK (0.48) CTSLCTSKCTSSCTSBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290515-B2 Cephem derivative having catechol group SHIONOGI & CO., LTD (JP) 2016-03-22 — — US disclosed
US-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2014-09-11 — — 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-20140256697-A1 CEPHEM DERIVATIVE HAVING CATECHOL GROUP COMT, CEP170, SLC6A3 CTSL 1905/4885CTSK 1574/4885CTSS 1439/4885

“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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