SCHEMBL5076173

SCHEMBL5076173

CC(C)(C)C#Cc1cc(NC2CCC(n3cncn3)CC2)c(C(=O)O)s1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.36
PRKCD Q05655 1/20 0.36
NR1I2 O75469 2/20 0.35
CYP2E1 P05181 1/20 0.35
EPHX2 P34913 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
SCHEMBL102009 0.91 PRKCQ (0.37) PRKCQPRKCD
SCHEMBL5078819 0.84 IRAK4 (0.37) NR1I2CYP2E1EPHX2
SCHEMBL14647676 0.81 PIM1 (0.39) PRKCQNR1I2CYP2E1
SCHEMBL12518971 0.80 NR1I2 (0.38) NR1I2CYP2E1
SCHEMBL15015340 0.79 RAB9A (0.42) NR1I2CYP2E1
SCHEMBL15015289 0.78 NR1I2 (0.34) NR1I2CYP2E1
SCHEMBL173166 0.77 PRKCQ (0.35) PRKCQPRKCD
SCHEMBL12518984 0.77 NR1I2 (0.38) NR1I2CYP2E1
SCHEMBL12949583 0.76 IRAK4 (0.33) NR1I2CYP2E1
SCHEMBL15015348 0.75 NR1I2 (0.35) NR1I2CYP2E1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2008-12-04 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-20080299080-A1 Thiophene analogues for the treatment or prevention of flavivirus infections TTR, ZC3HAV1, IRF3 PRKCQ 4722/4885PRKCD 4774/4885NR1I2 388/4885

“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.