SCHEMBL16079802

SCHEMBL16079802

CCSC(=O)[C@@H](CC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL1709281 0.77 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL8274815 0.76 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL8274820 0.76 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16031250 0.76 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1703014 0.74 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13068592 0.73 CYP2D6 (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15834913 0.71 CYP2D6 (0.51) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31548529 0.71 CYP2D6 (0.51) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13593032 0.71 CYP2D6 (0.47) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27017167 0.69 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970195-B1 PROCESSES FOR PRODUCING SOVAPREVIR ACHILLION PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-9481708-B2 Process for producing Sovaprevir ACHILLION PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-9481708-B2 Process for producing Sovaprevir ACHILLION PHARMACEUTICALS, INC. (US) 2016-11-01 US disclosed
US-20150322109-A1 NOVEL PROCESS FOR PRODUCING SOVAPREVIR ACHILLION PHARMACEUTICALS, INC. 2015-11-12 US disclosed
US-20150322109-A1 NOVEL PROCESS FOR PRODUCING SOVAPREVIR ACHILLION PHARMACEUTICALS, INC. 2015-11-12 US disclosed
US-9115175-B2 Processes for Producing sovaprevir ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115175-B2 Processes for Producing sovaprevir ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
WO-2014152928-A2 NOVEL PROCESSES FOR PRODUCING SOVAPREVIR ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
US-20140275480-A1 NOVEL PROCESSES FOR PRODUCING SOVAPREVIR ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275480-A1 NOVEL PROCESSES FOR PRODUCING SOVAPREVIR ACHILLION PHARMACEUTICALS, INC. (US) 2014-09-18 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 (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-20150322109-A1 NOVEL PROCESS FOR PRODUCING SOVAPREVIR FDPS, WEE1, CYP3A4 CYP2D6 60/4885HDAC3 4147/4885HDAC1 3368/4885
US-20140275480-A1 NOVEL PROCESSES FOR PRODUCING SOVAPREVIR FDPS, WEE1, CYP3A4 CYP2D6 45/4885HDAC3 4113/4885HDAC1 3332/4885

“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.