SCHEMBL3814656

SCHEMBL3814656

COc1cc(OC)cc(C(NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
ACE P12821 1/20 0.38
S1PR3 Q99500 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ABCB1 P08183 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL23384955 0.91 CTSS (0.40) ATMCTSSCTSKPPARAPPARG
SCHEMBL29826578 0.91 CTSS (0.40) ATMCTSSCTSKPPARAPPARG
SCHEMBL18260473 0.86 ATM (0.49) ATMCTSSCTSKPPARAPPARG
SCHEMBL30771269 0.86 ATM (0.49) ATMCTSSCTSKPPARAPPARG
SCHEMBL31724344 0.86 ATM (0.49) ATMCTSSCTSKPPARAPPARG
SCHEMBL30771314 0.86 ATM (0.49) ATMCTSSCTSKPPARAPPARG
SCHEMBL19665873 0.86 ATM (0.49) ATMCTSSCTSKPPARAPPARG
SCHEMBL844432 0.85 ATM (0.56) ATMCTSSCTSKPPARAPPARG
SCHEMBL844431 0.85 ATM (0.56) ATMCTSSCTSKPPARAPPARG
SCHEMBL3217896 0.85 ATM (0.56) ATMCTSSCTSKPPARAPPARG

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
US-20250346616-A1 ROCK INHIBITORS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2025-11-13 US disclosed
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 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-20250346616-A1 ROCK INHIBITORS AND USES THEREOF ROCK1, ROCK2, RHOA ATM 1532/4885CTSS 2671/4885CTSK 1192/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU ATM 1927/4885CTSS 1158/4885CTSK 1629/4885

“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.