SCHEMBL21217741

SCHEMBL21217741

CC(C)NC(=O)Cn1cc(B2OC(C)(C)C(C)(C)O2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ PSMB1 P20618 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ LIPG Q9Y5X9 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35
▸ LPL P06858 1/20 0.34

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
SCHEMBL21217742 0.88 KDM4E (0.41) KDM4EKMT2AMEN1ALDH1A1POLB
SCHEMBL25414971 0.84 LPL (0.40) KDM4EALDH1A1POLBKEAP1NFE2L2
SCHEMBL21198423 0.82 KDM4E (0.41) KDM4EKMT2AMEN1ALDH1A1POLB
SCHEMBL28905242 0.79 LIPG (0.36) KDM4EKMT2AALDH1A1POLBKEAP1
SCHEMBL22552061 0.78 LIPG (0.38) LIPGAAK1LPL
SCHEMBL505948 0.78 LPL (0.40) LIPGAAK1LPL
SCHEMBL20612087 0.77 KDM4E (0.57) KDM4EKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL21916914 0.77 KMT2A (0.41) KDM4EKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL506778 0.76 LPL (0.46) LIPGLPL
SCHEMBL22655324 0.76 LPL (0.38) LIPGAAK1LPL

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2024-07-04 — — US disclosed
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 — — US disclosed
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 — — EP disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 — — EP disclosed
US-20210038606-A1 Modulators of Rho-associated Protein Kinase REDX PHARMA LIMITED (GB) 2021-02-11 — — US disclosed
WO-2019145729-A9 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2020-07-30 — — WO disclosed
WO-2019145729-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2019-08-01 — — WO 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 (3 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-20240216386-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA KDM4E 1568/4885KMT2A 2289/4885MEN1 2942/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA KDM4E 1481/4885KMT2A 2192/4885MEN1 2886/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA KDM4E 1568/4885KMT2A 2289/4885MEN1 2942/4885

“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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