SCHEMBL27020331

SCHEMBL27020331

COC(=O)C(CC(=O)OC(C)(C)C)C1Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
CACNA1B Q00975 1/20 0.37
NAMPT P43490 1/20 0.37
METAP1 P53582 1/20 0.37
KMT2A Q03164 2/20 0.36
KLK5 Q9Y337 2/20 0.36
PTPRC P08575 2/20 0.36
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
ENPP2 Q13822 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34

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
SCHEMBL27020293 0.88 GAA (0.40) KMT2AENPP2
SCHEMBL1916259 0.86 PLA2G10 (0.37) EPHX2NAMPTPTPRCOPRM1OPRL1
SCHEMBL1916264 0.86 PLA2G10 (0.37) EPHX2NAMPTPTPRCOPRM1OPRL1
SCHEMBL7215369 0.79 THRB (0.39) EPHX2CACNA1BKMT2A
SCHEMBL7406437 0.72 CYP3A4 (0.50) CACNA1BKMT2AKLK5
SCHEMBL7406434 0.72 CYP3A4 (0.50) CACNA1BKMT2AKLK5
SCHEMBL6240853 0.71 KMT2A (0.49) KMT2AKLK5
SCHEMBL9367720 0.71 KMT2A (0.43) METAP1KMT2A
SCHEMBL30492989 0.70 NAMPT (0.43) EPHX2NAMPT
SCHEMBL6262070 0.70 EPHX2 (0.47) EPHX2NAMPTPTPRC

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-20240016941-A1 COMBINATION THERAPY ANTABIO SAS (FR) 2024-01-18 US disclosed
US-20240016941-A1 COMBINATION THERAPY ANTABIO SAS (FR) 2024-01-18 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-20240016941-A1 COMBINATION THERAPY CFTR, ABCB11, SLC26A4 EPHX2 3077/4885CACNA1B 896/4885NAMPT 2004/4885

“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.