SCHEMBL30195056

SCHEMBL30195056

COC(=O)c1cccc2c1N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NOTUM Q6P988 2/20 0.41
NR1H2 P55055 2/20 0.40
PRMT5 O14744 3/20 0.40
WDR77 Q9BQA1 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ESR2 Q92731 1/20 0.39
UCHL1 P09936 2/20 0.39
MAPK1 P28482 1/20 0.38
USP30 Q70CQ3 1/20 0.38
CHRM4 P08173 1/20 0.37
DRD2 P14416 1/20 0.37
HTR7 P34969 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
SCHEMBL553450 1.00 HDAC1 (0.42) HDAC1HDAC6NOTUMNR1H2PRMT5
SCHEMBL4666060 0.92 NOTUM (0.43) HDAC1HDAC6NOTUMNR1H2PRMT5
SCHEMBL2109995 0.87 NOTUM (0.46) NOTUMNR1H2PRMT5WDR77ALDH1A1
SCHEMBL10211390 0.87 NOTUM (0.46) NOTUMNR1H2PRMT5WDR77ALDH1A1
SCHEMBL619483 0.86 MEN1 (0.48) NOTUMMEN1KMT2AALDH1A1
SCHEMBL5016207 0.82 NOTUM (0.46) NOTUMPRMT5WDR77MEN1KMT2A
SCHEMBL1270489 0.81 PTGER4 (0.52) HDAC1HDAC6
SCHEMBL3902271 0.81 CNR2 (0.52) NOTUMNR1H2ALDH1A1ESR2UCHL1
SCHEMBL23293654 0.80 NR1H2 (0.46) NOTUMNR1H2PRMT5WDR77MEN1
SCHEMBL16123405 0.80 UCHL1 (0.51) NOTUMNR1H2PRMT5WDR77MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230025807-A1 CD38 INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2023-01-26 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 (1 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-20230025807-A1 CD38 INHIBITORS CD38, GLS, IDH2 HDAC1 377/4885HDAC6 469/4885NOTUM 3115/4885

“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.