SCHEMBL10097335

SCHEMBL10097335

CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(O)cc3n2CC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.45
PFKFB2 O60825 1/20 0.43
NSD2 O96028 1/20 0.43
PFKFB1 P16118 1/20 0.43
PFKFB3 Q16875 1/20 0.43
DOT1L Q8TEK3 1/20 0.43
AS3MT Q9HBK9 1/20 0.43
RORC P51449 9/20 0.42
LMNA P02545 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL10097254 0.90 NPSR1 (0.42) PGRPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL979558 0.88 NPSR1 (0.38) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10097246 0.87 PFKFB2 (0.47) PGRPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10096731 0.86 PFKFB2 (0.46) PGRPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10095593 0.86 PGR (0.42) PGRPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10095919 0.85 PFKFB2 (0.46) PGRPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10256415 0.84 PTPN1 (0.44) ADORA2ANPC1RAB9AKDM4EMEN1
SCHEMBL10096212 0.83 PFKFB2 (0.44) PGRPFKFB2NSD2PFKFB1PFKFB3
SCHEMBL10096388 0.83 RAB9A (0.45) PFKFB2NSD2PFKFB1PFKFB3DOT1L
SCHEMBL10095410 0.83 CYP11B2 (0.46) PGRLMNATP53KDM4EMEN1

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-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
US-7868037-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2011-01-11 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 3811/4885PFKFB2 4129/4885NSD2 3586/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP PGR 3813/4885PFKFB2 4202/4885NSD2 3529/4885

“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.