SCHEMBL14979848

SCHEMBL14979848

COCCOCC1(S(=O)(=O)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.40
CA14 Q9ULX7 4/20 0.40
CA2 P00918 1/20 0.40
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
APLNR P35414 1/20 0.32
ASGR1 P07306 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7815313 0.87 CA12 (0.45) CA12CA14CA2CA1CA7
SCHEMBL13951829 0.85 CA12 (0.43) CA12CA14CA2CA1CA7
SCHEMBL8354526 0.85 CA12 (0.43) CA12CA14CA2CA1CA7
SCHEMBL14967226 0.81 ASGR1 (0.31) ASGR1
SCHEMBL21508927 0.81 CTSL (0.34)
SCHEMBL14979840 0.79 CYP3A4 (0.32)
SCHEMBL313730 0.78 CA12 (0.44) CA12CA14CA2CA1CA7
SCHEMBL4193420 0.78 CA12 (0.47) CA12CA14CA2CA1CA7
SCHEMBL8355027 0.78 CA12 (0.41) CA12CA14CA2CA1CA7
SCHEMBL13729324 0.77 CA12 (0.43) CA12CA14CA2CA1CA7

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
EP-2780026-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-9328138-B2 HCV NS3 protease inhibitors MSD ITALIA S.R.L. (IT) 2016-05-03 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
US-20140296136-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-10-02 US disclosed
WO-2013074386-A2 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO 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 (1 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-20140296136-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC CA12 4305/4885CA14 3991/4885CA2 4706/4885

“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.