SCHEMBL31724344

SCHEMBL31724344

COc1cccc(C(NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
CTSS P25774 1/20 0.49
CTSK P43235 1/20 0.49
ALDH1A1 P00352 1/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44
POLB P06746 1/20 0.43
CACNA1B Q00975 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
S1PR3 Q99500 1/20 0.42
GPR139 Q6DWJ6 2/20 0.42

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
SCHEMBL18260473 1.00 ATM (0.49) ATMCTSSCTSKALDH1A1MTNR1A
SCHEMBL19665873 1.00 ATM (0.49) ATMCTSSCTSKALDH1A1MTNR1A
SCHEMBL30771269 1.00 ATM (0.49) ATMCTSSCTSKALDH1A1MTNR1A
SCHEMBL30771314 1.00 ATM (0.49) ATMCTSSCTSKALDH1A1MTNR1A
SCHEMBL6479034 0.88 ATM (0.54) ATMALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL6479030 0.88 ATM (0.54) ATMALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL6121239 0.88 ATM (0.54) ATMALDH1A1MTNR1AMTNR1BPOLB
SCHEMBL28709127 0.87 CTSK (0.47) ATMCTSSCTSKGABRB1GABRB2
SCHEMBL5552871 0.87 FFAR1 (0.48) ATMCTSSCTSKCACNA1B
SCHEMBL3814656 0.86 ATM (0.44) ATMCTSSCTSKALDH1A1GABRB1

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 1 patent. 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

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-20250346616-A1 ROCK INHIBITORS AND USES THEREOF ROCK1, ROCK2, RHOA ATM 1532/4885CTSS 2671/4885CTSK 1192/4885

“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.