SCHEMBL10054589

SCHEMBL10054589

CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SIGMAR1 Q99720 2/20 0.47
CCR8 P51685 1/20 0.47
KDM4E B2RXH2 2/20 0.46
S1PR5 Q9H228 2/20 0.46
S1PR1 P21453 1/20 0.46
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL853539 0.94 USP30 (0.62) USP30L3MBTL1ATMALDH1A1SIGMAR1
SCHEMBL853540 0.94 USP30 (0.62) USP30L3MBTL1ATMALDH1A1SIGMAR1
SCHEMBL1055082 0.94 USP30 (0.62) USP30L3MBTL1ATMALDH1A1SIGMAR1
SCHEMBL14037432 0.94 USP30 (0.62) USP30L3MBTL1ATMALDH1A1SIGMAR1
SCHEMBL13177349 0.94 USP30 (0.62) USP30L3MBTL1ATMALDH1A1SIGMAR1
SCHEMBL2930907 0.90 USP30 (0.59) USP30L3MBTL1ATMALDH1A1SIGMAR1
SCHEMBL2930905 0.90 USP30 (0.59) USP30L3MBTL1ATMALDH1A1SIGMAR1
SCHEMBL22392269 0.89 USP30 (0.58) USP30L3MBTL1ATMALDH1A1SIGMAR1
SCHEMBL22402113 0.89 USP30 (0.58) USP30L3MBTL1ATMALDH1A1SIGMAR1
SCHEMBL22392270 0.89 USP30 (0.58) USP30L3MBTL1ATMALDH1A1SIGMAR1

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-8497383-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-30 US disclosed
US-20120142752-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-06-07 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-20120142752-A1 HIV PROTEASE INHIBITORS SERPINB1, PRSS1, SERPINB6 USP30 2503/4885L3MBTL1 806/4885ATM 1477/4885

“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.