SCHEMBL23547248

SCHEMBL23547248

CC(CCO)NC(=O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ASAH1 Q13510 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL9497710 0.83 KDM4E (0.30) KDM4ECYP2C9CYP2C19
SCHEMBL23613007 0.83 ALDH1A1 (0.43) CNR2CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL13887653 0.82 ASAH1 (0.38) CNR2ALDH1A1NPSR1ASAH1L3MBTL1
SCHEMBL14707759 0.82 ASAH1 (0.38) CNR2ALDH1A1NPSR1ASAH1L3MBTL1
SCHEMBL14707758 0.82 ASAH1 (0.38) CNR2ALDH1A1NPSR1ASAH1L3MBTL1
SCHEMBL26504336 0.79 TAS1R3 (0.46) CYP2C9CYP2C19ASAH1MAPK1
SCHEMBL25867489 0.79 ACACB (0.34) CNR2KDM4ECYP2C9CYP2C19GAA
SCHEMBL25867490 0.78 CYP2C9 (0.39) CNR2KDM4ECYP2C9CYP2C19GAA
SCHEMBL19699581 0.77 MMP1 (0.48) CNR2KDM4EGAAALDH1A1NPSR1
SCHEMBL19699582 0.77 MMP1 (0.48) CNR2KDM4EGAAALDH1A1NPSR1

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-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS GENENTECH, INC. (US) 2021-06-24 — — 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-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS TEAD2, TEAD1, SULT2A1 CNR2 23/4885KDM4E 848/4885CYP2C9 193/4885

“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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