SCHEMBL22308452

SCHEMBL22308452

CC(C)(O)[C@H](N[C@@H](CO)c1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.50
GPR88 Q9GZN0 2/20 0.39
METAP2 P50579 3/20 0.39
METAP1 P53582 3/20 0.39
EPHX2 P34913 2/20 0.38
RPS6KB1 P23443 3/20 0.38
AURKA O14965 2/20 0.38
EPHX1 P07099 6/20 0.37
MAPK13 O15264 1/20 0.37
ROCK2 O75116 1/20 0.37
RPS6KA5 O75582 1/20 0.37
MAP4K4 O95819 1/20 0.37
PAK4 O96013 1/20 0.37
PRKCG P05129 1/20 0.37
CDK1 P06493 1/20 0.37
PRKACA P17612 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK1 P28482 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37

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
SCHEMBL24361065 1.00 RIPK1 (0.50) RIPK1GPR88METAP2METAP1EPHX2
SCHEMBL26606652 0.90 RIPK1 (0.51) RIPK1GPR88METAP2METAP1EPHX2
SCHEMBL20732162 0.86 RIPK1 (0.55) RIPK1GPR88METAP2METAP1RPS6KB1
SCHEMBL25469177 0.80 RIPK1 (0.54) RIPK1GPR88METAP2METAP1EPHX2
SCHEMBL12564317 0.79 RIPK1 (0.41) RIPK1GPR88METAP2METAP1EPHX2
SCHEMBL23461042 0.77 RIPK1 (0.57) RIPK1GPR88METAP2METAP1EPHX2
SCHEMBL25279162 0.77 RIPK1 (0.57) RIPK1GPR88METAP2METAP1EPHX2
SCHEMBL23461040 0.77 RIPK1 (0.57) RIPK1GPR88METAP2METAP1EPHX2
Hydrochloric Acid SCHEMBL30457769 0.75 RIPK1 (0.56) RIPK1GPR88METAP2METAP1EPHX2
SCHEMBL22309192 0.75 GLA (0.40) RIPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-30 US disclosed
US-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-12 US disclosed
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 US disclosed
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 US 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 (4 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-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SHBG, CYP11A1, CYP11B1 RIPK1 2709/4885GPR88 2033/4885METAP2 2101/4885
US-20220202948-A1 Agent for Eliminating Pluripotent Stem Cells POU5F1, POU2F1, POU2F2 RIPK1 4011/4885GPR88 2704/4885METAP2 1443/4885
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 RIPK1 4650/4885GPR88 3145/4885METAP2 3033/4885
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA RIPK1 4770/4885GPR88 2885/4885METAP2 3967/4885

“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.