SCHEMBL22308451

SCHEMBL22308451

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.44
TSHR P16473 1/20 0.37
GPR88 Q9GZN0 2/20 0.35
MAN2A1 Q16706 3/20 0.34
MAN1B1 Q9UKM7 3/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
TRPA1 O75762 3/20 0.33
EPHX2 P34913 2/20 0.33
MAN2B1 O00754 2/20 0.33
ALDH1A1 P00352 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CTSL P07711 1/20 0.33
MAPK13 O15264 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
PRKCG P05129 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
SCHEMBL24361064 1.00 RIPK1 (0.44) RIPK1TSHRGPR88MAN2A1MAN1B1
SCHEMBL25469179 0.89 RIPK1 (0.46) RIPK1TSHRGPR88MAN2A1MAN1B1
SCHEMBL26606649 0.89 RIPK1 (0.46) RIPK1TSHRGPR88MAN2A1MAN1B1
SCHEMBL23460721 0.85 RIPK1 (0.49) RIPK1TSHRGPR88
SCHEMBL23460720 0.85 RIPK1 (0.49) RIPK1TSHRGPR88
SCHEMBL30457124 0.85 RIPK1 (0.49) RIPK1TSHRGPR88
SCHEMBL13244993 0.83 CTSL (0.40) RIPK1TSHRMAN2A1MAN1B1CTSS
SCHEMBL13244991 0.83 CTSL (0.40) RIPK1TSHRMAN2A1MAN1B1CTSS
SCHEMBL22100908 0.78 RIPK1 (0.45) RIPK1TSHRGPR88MAN2A1MAN1B1
SCHEMBL12607081 0.77 RIPK1 (0.39) RIPK1GPR88EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SHBG, CYP11A1, CYP11B1 RIPK1 2709/4885TSHR 2136/4885GPR88 2033/4885
US-20200247847-A1 Antibody-Drug Conjugates Including Hemiasterlin Derivative HSD3B2, HSD3B1, HSD11B2 RIPK1 4650/4885TSHR 1852/4885GPR88 3145/4885
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA RIPK1 4770/4885TSHR 1863/4885GPR88 2885/4885

“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.