SCHEMBL6538992

SCHEMBL6538992

CC(C)NC(=O)COc1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 2/20 0.56
SRD5A2 P31213 1/20 0.56
KDM4E B2RXH2 1/20 0.56
PLA2G4B P0C869 2/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL21197867 0.86 GAA (0.68) GAASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL10765557 0.85 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KDM4EMAPK1LMNA
SCHEMBL25758742 0.83 ALDH1A1 (0.62) GAASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL8435551 0.82 SRD5A2 (0.70) GAASMN1; SMN2ALDH1A1SRD5A2KDM4E
SCHEMBL8248742 0.82 SMN1; SMN2 (0.64) GAASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL8241785 0.82 RAB9A (0.66) GAASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL21217871 0.82 HSD17B10 (0.56) SMN1; SMN2ALDH1A1PLA2G4BLMNAL3MBTL1
SCHEMBL22192220 0.82 ALDH1A1 (0.59) GAASMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL6539261 0.81 PLA2G4B (0.60) ALDH1A1SRD5A2PLA2G4BMAPK1MAPT
SCHEMBL6539782 0.81 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1SRD5A2PLA2G4BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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-20210038606-A1 Modulators of Rho-associated Protein Kinase ROCK2, ROCK1, RHOA GAA 2427/4885SMN1; SMN2 3120/4885ALDH1A1 4405/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB GAA 422/4885SMN1; SMN2 2439/4885ALDH1A1 578/4885
US-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA GAA 2236/4885SMN1; SMN2 3144/4885ALDH1A1 4441/4885

“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.