SCHEMBL354927

SCHEMBL354927

COC(=O)c1ccc2c(c1)C[C@@H](NC(=O)C(C)(C)C)CC2

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.52
MTNR1B P49286 4/20 0.52
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
ACHE P22303 4/20 0.49
KDM4E B2RXH2 1/20 0.44
HDAC8 Q9BY41 7/20 0.43
HDAC6 Q9UBN7 3/20 0.42
CNR2 P34972 1/20 0.40

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
SCHEMBL354190 0.95 CA1 (0.49) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL354116 0.87 MTNR1A (0.48) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL354268 0.86 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10253259 0.86 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL355453 0.85 HDAC8 (0.60) HDAC8HDAC6
SCHEMBL354112 0.85 HDAC8 (0.60) HDAC8HDAC6
SCHEMBL469781 0.83 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL15985126 0.82 MTNR1A (0.40) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL464149 0.82 MTNR1A (0.50) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL17478386 0.81 CA1 (0.48) MTNR1AMTNR1BCA1CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 MTNR1A 1476/4885MTNR1B 944/4885CA1 506/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 MTNR1A 1616/4885MTNR1B 1109/4885CA1 725/4885

“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.