SCHEMBL10163389

SCHEMBL10163389

CCC(N)C(O)C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31

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
SCHEMBL26780682 0.80 CETP (0.36) TSHR
SCHEMBL3295923 0.80 CETP (0.36) TSHR
Hydrochloric Acid SCHEMBL7276708 0.78 CETP (0.35) TSHR
SCHEMBL3856439 0.72 TSHR (0.46) TSHR
SCHEMBL11134197 0.72 TSHR (0.39) TSHR
SCHEMBL3862694 0.72 TSHR (0.46) TSHR
SCHEMBL8539752 0.71 CETP (0.30)
SCHEMBL10163720 0.71 SLC1A3 (0.32)
SCHEMBL18313028 0.69
Hydrochloric Acid SCHEMBL9538964 0.68 TSHR (0.36) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
EP-2409985-A2 Inhibitors de serine proteases, especially of the NS3 protease of the hepatitis C virus VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-25 EP disclosed
EP-2314598-A1 Inhibitors of Hepatitis C virus NS3 serine protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-27 EP disclosed
US-7388017-B2 Inhibitors of serine proteases, particularly hepatitis C virus NS3 protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-17 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 (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-20130012430-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HEPATITIS C VIRUS NS3 PROTEASE HPN, PRSS1, PRSS3 TSHR 4795/4885

“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.