SCHEMBL355074

SCHEMBL355074

COC(=O)c1ccc2c(c1)CC(NC(=O)C1(C)CCN(C(=O)OC(C)(C)C)C(C)C1)CC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
UCHL1 P09936 1/20 0.38
USP30 Q70CQ3 1/20 0.38
OPRD1 P41143 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ACHE P22303 2/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
KDM1A O60341 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL354658 0.88 NPC1 (0.42) MTNR1AMTNR1BUCHL1USP30OPRD1
SCHEMBL355075 0.85 MTNR1A (0.39) MTNR1AMTNR1BOPRD1CA1CA2
SCHEMBL434563 0.80 MTNR1A (0.43) MTNR1AMTNR1BOPRD1CA1CA2
SCHEMBL354456 0.78 HDAC8 (0.46) HDAC1HDAC6HDAC8
SCHEMBL354268 0.76 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10253259 0.76 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL354927 0.73 MTNR1A (0.52) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL17478386 0.72 CA1 (0.48) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL18435173 0.70 PTPN1 (0.49) HDAC6HDAC8NPC1RAB9AKDM4E
SCHEMBL469781 0.69 MTNR1A (0.51) 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 2 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
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 944/4885UCHL1 1416/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 MTNR1A 1616/4885MTNR1B 1109/4885UCHL1 584/4885

“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.