SCHEMBL19787829

SCHEMBL19787829

CC(C)(C)[C@@H](Cc1ccc(CC(C)(C)[C@@H](Cc2ccccc2)C(N)=O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
EPHX1 P07099 1/20 0.42
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CYP1A2 P05177 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
SRR Q9GZT4 2/20 0.39
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PPARD Q03181 1/20 0.37
SLC15A1 P46059 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
SCHEMBL26531665 0.85 TRPA1 (0.46) TRPA1EPHX1ALPIPKMPTGS1
SCHEMBL15426320 0.83 EPHX1 (0.53) TRPA1EPHX1ALPIPKMPTGS1
SCHEMBL14591098 0.83 EPHX1 (0.53) TRPA1EPHX1ALPIPKMPTGS1
SCHEMBL15426321 0.83 CYP1A2 (0.55) TRPA1ALPIPKMPTGS1XIAP
SCHEMBL66965 0.83 CYP1A2 (0.55) TRPA1ALPIPKMPTGS1XIAP
SCHEMBL21562526 0.76 PTPRA (0.40) TRPA1ALPIPKMPTGS1XIAP
SCHEMBL819687 0.76 TRPA1 (0.51) TRPA1ALPIPKMPTGS1XIAP
SCHEMBL1579881 0.74 SLC7A5 (0.55) SLC7A5SLC6A2TAAR1POLBMME
SCHEMBL3704633 0.74 SLC7A5 (0.44) SLC7A5SLC1A1
SCHEMBL27503896 0.73 EPHX1 (0.49) EPHX1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230021500-A1 CYSTEINE ENGINEERED ANTIBODY-DRUG CONJUGATES WITH PEPTIDE-CONTAINING LINKERS MERSANA THERAPEUTICS, INC. 2023-01-26 US disclosed
US-9872918-B2 Hydroxyl-polymer-drug-protein conjugates MERSANA THERAPEUTICS, INC. (US) 2018-01-23 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-20230021500-A1 CYSTEINE ENGINEERED ANTIBODY-DRUG CONJUGATES WITH PEPTIDE-CONTAINING LINKERS LNPEP, DNPEP, QPCT TRPA1 4884/4885EPHX1 2595/4885ALPI 4747/4885

“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.