SCHEMBL23046047

SCHEMBL23046047

CC(C)(C)OC(=O)N1CC2(Cc3ccccc3C2O)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.45
▸ CRBN Q96SW2 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ NAMPT P43490 3/20 0.43
▸ GPR119 Q8TDV5 2/20 0.41
▸ RORC P51449 6/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ KDM1A O60341 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
SCHEMBL24282932 0.88 GPR119 (0.45) DDB1CRBNMAPK1NAMPTGPR119
SCHEMBL29609272 0.88 GPR119 (0.45) DDB1CRBNMAPK1NAMPTGPR119
SCHEMBL30529412 0.86 MAPK1 (0.43) DDB1CRBNMAPK1NAMPTGPR119
SCHEMBL21940705 0.84 NAMPT (0.43) DDB1CRBNMAPK1NAMPTGPR119
SCHEMBL25398481 0.83 ESR2 (0.39) DDB1CRBNGPR119RORC
SCHEMBL29609474 0.83 ESR2 (0.39) DDB1CRBNGPR119RORC
SCHEMBL25403345 0.81 DDB1 (0.42) DDB1CRBNGPR119RORC
SCHEMBL29609259 0.81 DDB1 (0.42) DDB1CRBNGPR119RORC
SCHEMBL26284403 0.81 GPR119 (0.39) DDB1CRBNMAPK1NAMPTGPR119
SCHEMBL21940706 0.79 NAMPT (0.40) DDB1CRBNMAPK1NAMPTGPR119

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-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2021-03-02 — — 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-10934302-B1 SHP2 phosphatase inhibitors and methods of use thereof PTPRCAP, PTPRJ, PTPRC DDB1 1135/4885CRBN 232/4885MAPK1 769/4885

“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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