SCHEMBL4357112

SCHEMBL4357112

CC(C)(C)OC(=O)N[C@H](COS(C)(=O)=O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ EPHX1 P07099 2/20 0.42
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ CACNA1B Q00975 5/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA14 Q9ULX7 2/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL4357115 1.00 HDAC4 (0.42) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL13605051 1.00 HDAC4 (0.42) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL24298159 0.83 EPHX1 (0.46) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL90706 0.83 EPHX1 (0.46) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL89503 0.83 EPHX1 (0.46) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL3122669 0.83 HDAC4 (0.39) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL90608 0.81 EPHX1 (0.44) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL90287 0.81 EPHX1 (0.44) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL1414447 0.80 EPHX1 (0.48) HDAC4HDAC1HDAC6EPHX1CTSS
SCHEMBL12733104 0.80 EPHX1 (0.48) HDAC4HDAC1HDAC6EPHX1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127155-A1 Smac mimetic dimers and trimers useful as anti-cancer agents JOYANT PHARMACEUTICALS, INC (US) 2014-05-08 — — US disclosed
US-20140127155-A1 Smac mimetic dimers and trimers useful as anti-cancer agents JOYANT PHARMACEUTICALS, INC (US) 2014-05-08 — — US disclosed
US-8642554-B2 Smac mimetic dimers and trimers useful as anti-cancer agents JOYANT PHARMACEUTICALS, INC. (US) 2014-02-04 — — US disclosed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 — — EP disclosed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 — — EP disclosed
US-20090104151-A1 SMAC MIMETIC DIMERS AND TRIMERS USEFUL AS ANTI-CANCER AGENTS JOYANT PHARMACEUTICALS, INC (US) 2009-04-23 — — 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 (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-20090104151-A1 SMAC MIMETIC DIMERS AND TRIMERS USEFUL AS ANTI-CANCER AGENTS BID, BAD, BIRC3 HDAC4 930/4885HDAC1 1084/4885HDAC6 1207/4885
US-20140127155-A1 Smac mimetic dimers and trimers useful as anti-cancer agents BID, BAD, BIRC3 HDAC4 930/4885HDAC1 1084/4885HDAC6 1207/4885

“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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