SCHEMBL13872467

SCHEMBL13872467

C#CCOC[C@@H](NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.42
▸ CTSS P25774 4/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ EPHX1 P07099 2/20 0.40
▸ GAA P10253 1/20 0.39
▸ BTK Q06187 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CACNA1B Q00975 2/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32

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
SCHEMBL90287 0.84 EPHX1 (0.44) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL90608 0.84 EPHX1 (0.44) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL89503 0.81 EPHX1 (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL90706 0.81 EPHX1 (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL24298159 0.81 EPHX1 (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1414447 0.78 EPHX1 (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL2702388 0.78 EPHX1 (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL12733104 0.78 EPHX1 (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3122584 0.78 EPHX1 (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL14073621 0.78 HDAC4 (0.42) CTSKCTSSHDAC4HDAC1HDAC6

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 5 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
US-8642554-B2 Smac mimetic dimers and trimers useful as anti-cancer agents JOYANT PHARMACEUTICALS, INC. (US) 2014-02-04 — — US 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 CTSK 3597/4885CTSS 3537/4885HDAC4 930/4885
US-20140127155-A1 Smac mimetic dimers and trimers useful as anti-cancer agents BID, BAD, BIRC3 CTSK 3597/4885CTSS 3537/4885HDAC4 930/4885

“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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