SCHEMBL8228565

SCHEMBL8228565

CC(C)[C@H](NO)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
IL1RN P18510 1/20 0.52
ERAP2 Q6P179 1/20 0.52
ERAP1 Q9NZ08 1/20 0.52
CTSB P07858 3/20 0.50
CTSK P43235 2/20 0.50
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ELANE P08246 2/20 0.47
PRTN3 P24158 1/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL8707008 0.87 ALDH1A1 (0.53) ALDH1A1IL1RNERAP2ERAP1CTSB
SCHEMBL6959620 0.87 ALDH1A1 (0.53) ALDH1A1IL1RNERAP2ERAP1CTSB
Hydrochloric Acid SCHEMBL25265036 0.85 ALDH1A1 (0.51) ALDH1A1IL1RNERAP2ERAP1CTSB
SCHEMBL21445353 0.85 ALDH1A1 (0.51) ALDH1A1IL1RNERAP2ERAP1CTSB
Hydrochloric Acid SCHEMBL8712756 0.85 ALDH1A1 (0.51) ALDH1A1IL1RNERAP2ERAP1CTSB
SCHEMBL12516497 0.85 ERAP2 (0.57) ALDH1A1IL1RNERAP2ERAP1CTSB
SCHEMBL6959614 0.85 ALDH1A1 (0.51) ALDH1A1IL1RNERAP2ERAP1CTSB
SCHEMBL21274440 0.84 ERAP2 (0.56) ALDH1A1IL1RNERAP2ERAP1CTSB
SCHEMBL21274443 0.84 ERAP2 (0.56) ALDH1A1IL1RNERAP2ERAP1CTSB
SCHEMBL22004939 0.84 ALDH1A1 (0.50) ALDH1A1IL1RNERAP2ERAP1CTSB

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-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2009-05-14 US disclosed
US-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR ENANTA PHARMACEUTICALS, INC. 2008-11-06 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 (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-20080274082-A1 OXIMYL HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS PROTEASE INHIBITOR HPN, HCCS, SPINT2 ALDH1A1 450/4885IL1RN 1626/4885ERAP2 581/4885
US-20090123423-A1 HYDROXYAMIC ANALOGS AS HEPATITIS C VIRUS SERINE PROTEASE INHIBITOR HPN, PRSS1, SERPINB1 ALDH1A1 409/4885IL1RN 626/4885ERAP2 191/4885

“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.