SCHEMBL10097247

SCHEMBL10097247

CCn1c(-c2ccc(NS(C)(=O)=O)cc2)c(C#N)c2cc(I)ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.44
NR3C1 P04150 6/20 0.44
NR3C2 P08235 6/20 0.44
AR P10275 5/20 0.44
NPC1 O15118 1/20 0.37
PFKFB2 O60825 1/20 0.37
NSD2 O96028 1/20 0.37
PFKFB1 P16118 1/20 0.37
PFKFB3 Q16875 1/20 0.37
DOT1L Q8TEK3 1/20 0.37
AS3MT Q9HBK9 1/20 0.37
CYP11B2 P19099 1/20 0.36
BRPF1 P55201 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
SMARCA2 P51531 1/20 0.35
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL12334234 0.89 PGR (0.46) PGRNR3C1NR3C2ARPFKFB2
SCHEMBL10095574 0.87 KIF11 (0.45) PGRNR3C1NR3C2ARNPC1
SCHEMBL10095620 0.87 PGR (0.44) PGRNR3C1NR3C2ARNPC1
SCHEMBL10252519 0.87 BRPF1 (0.37) PGRNR3C1NR3C2ARPFKFB2
SCHEMBL10095449 0.85 GRIK2 (0.54) PGRNR3C1NR3C2ARNPC1
SCHEMBL10095551 0.84 CYP11B2 (0.47) PGRNR3C1NR3C2ARNPC1
SCHEMBL10193421 0.83 PGR (0.48) PGRNR3C1NR3C2ARCYP11B2
SCHEMBL10095782 0.83 MTOR (0.44) PGRNR3C1NR3C2ARALDH1A1
SCHEMBL10095663 0.81 GRIK2 (0.45) PGRNR3C1NR3C2ARNPC1
SCHEMBL979533 0.81 PGR (0.47) PGRNR3C1NR3C2ARCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
US-8013006-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-09-06 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS PGR 3811/4885NR3C1 2338/4885NR3C2 2954/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PGR 3813/4885NR3C1 4099/4885NR3C2 4241/4885

“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.