SCHEMBL21217745

SCHEMBL21217745

CC(C)NC(=O)CCn1ccc(B2OC(C)(C)C(C)(C)O2)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 1/20 0.36
▸ PSMB1 P20618 4/20 0.36
▸ HIF1A Q16665 4/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ POLB P06746 2/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33

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
SCHEMBL21198423 0.88 KDM4E (0.41) PSMB5KDM4EPSMB1HIF1AHPGD
SCHEMBL21217742 0.83 KDM4E (0.41) KDM4EMAPTHIF1AHPGDHSD17B10
SCHEMBL3668225 0.79 LIPG (0.36) HIF1ALIPGROCK1
SCHEMBL28868834 0.79 LIPG (0.43) KDM4EMAPTHIF1AHSD17B10LIPG
SCHEMBL17197326 0.76 BACE1 (0.38) LIPGROCK1
SCHEMBL21217746 0.75 PSMB5 (0.48) PSMB5KDM4EMAPTPSMB1HPGD
SCHEMBL16466430 0.75 LIPG (0.41) HIF1ALIPGROCK1
SCHEMBL3761769 0.74 HTR2C (0.37) LIPGROCK1
SCHEMBL18150899 0.74 ACACB (0.36) HIF1ALIPGALDH1A1ROCK1
SCHEMBL20612087 0.74 KDM4E (0.57) KDM4EHIF1AHPGDHSD17B10POLB

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 PSMB5 4160/4885KDM4E 1568/4885MAPT 909/4885
US-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA PSMB5 4102/4885KDM4E 1481/4885MAPT 969/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA PSMB5 4160/4885KDM4E 1568/4885MAPT 909/4885

“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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