SCHEMBL31389102

SCHEMBL31389102

COC(=O)C(CNC(=O)OC(C)(C)C)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.42
▸ CTSK P43235 7/20 0.42
▸ ADRB2 P07550 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ PTPN11 Q06124 1/20 0.39
▸ CTSL P07711 3/20 0.39
▸ CTSB P07858 3/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SERPINE1 P05121 1/20 0.37
▸ MGLL Q99685 1/20 0.37
▸ KDM4D Q6B0I6 1/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ EPHX2 P34913 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
SCHEMBL30771319 0.89 CTSS (0.45) CTSSCTSKADRB2ADRB1ADRB3
SCHEMBL16935724 0.88 CTSS (0.42) CTSSCTSKADRB2ADRB1ADRB3
SCHEMBL31724229 0.86 CTSS (0.44) CTSSCTSKSYKCTSLCTSB
SCHEMBL2796410 0.84 L3MBTL1 (0.47) CTSSCTSKSYKESR1ESR2
SCHEMBL12321525 0.83 CTSS (0.44) CTSSCTSKADRB2ADRB1ADRB3
SCHEMBL31724101 0.83 AAK1 (0.47) CTSSCTSKSYKESR1ESR2
SCHEMBL31724161 0.83 NPSR1 (0.43) CTSSCTSKADRB2ADRB1ADRB3
SCHEMBL31389109 0.83 CTSS (0.43) CTSSCTSKADRB2ADRB1ADRB3
SCHEMBL191176 0.83 L3MBTL1 (0.50) SYKESR1ESR2SERPINE1
SCHEMBL6679064 0.83 AAK1 (0.42) CTSSCTSKADRB2ADRB1ADRB3

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-20250346616-A1 ROCK INHIBITORS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2025-11-13 — — US disclosed
CN-119173509-A ROCK inhibitors and uses thereof 迪哲(江苏)医药股份有限公司 2024-12-20 — — CN 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 CTSS 2671/4885CTSK 1192/4885ADRB2 2067/4885

“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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