SCHEMBL23501237

SCHEMBL23501237

CC(C)[Si](OCCCCc1ccc(C(CN2C(=O)c3ccccc3C2=O)C(=O)O)cc1)(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 3/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MAPK1 P28482 1/20 0.37
ASAH1 Q13510 1/20 0.37
HDAC7 Q8WUI4 4/20 0.36
HDAC1 Q13547 3/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL23501357 0.94 MAPK1 (0.38) TDP1L3MBTL1PPARGPPARDPPARA
SCHEMBL23501359 0.94 MAPK1 (0.38) TDP1L3MBTL1PPARGPPARDPPARA
SCHEMBL23501433 0.91 ALDH1A1 (0.39) TDP1L3MBTL1ASAH1HDAC7HDAC1
SCHEMBL114458 0.87 MAPK1 (0.44) L3MBTL1MMP2MMP9MAPK1HDAC7
SCHEMBL23501351 0.87 MAPK1 (0.44) L3MBTL1MMP2MMP9MAPK1HDAC7
SCHEMBL23501458 0.84 ESR1 (0.38) HDAC7HDAC1CASP3KMT2A
SCHEMBL111498 0.80 KMT2A (0.42) MMP2MMP9MAPK1HDAC7HDAC1
SCHEMBL119084 0.78 ESR1 (0.42) MAPK1HDAC7HDAC1CASP3KMT2A
SCHEMBL30744180 0.77 ROCK2 (0.33) MAPK1
SCHEMBL23501303 0.75 CYP3A4 (0.48) MMP2MMP9HDAC7HDAC1KMT2A

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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2021-10-26 CN disclosed
CN-112979675-A Small-molecule sulfur-containing heterocyclic compound 维眸生物科技(上海)有限公司 2021-06-18 CN disclosed
WO-2021115495-A1 SMALL-MOLECULE SULFUR-CONTAINING HETEROCYCLIC COMPOUND 维眸生物科技(上海)有限公司 2021-06-17 WO disclosed
CN-111217834-A Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2020-06-02 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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 TDP1 799/4885L3MBTL1 2301/4885PPARG 4198/4885

“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.