SCHEMBL10097264

SCHEMBL10097264

CCn1c(-c2cccc(NS(=O)(=O)C(C)C)c2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 4/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
PKM P14618 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
NCOA1 Q15788 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL10095334 0.90 GRIK2 (0.43) GRIK2ALDH1A1MAPK1KDM4EHTT
SCHEMBL10097262 0.90 HSP90AA1 (0.50) GRIK2HSP90AA1HSP90AB1ALDH1A1MAPK1
SCHEMBL10095478 0.90 CYP11B2 (0.47) GRIK2HSP90AA1HSP90AB1ALDH1A1MAPK1
SCHEMBL10095714 0.89 MAPK1 (0.39) GRIK2HSP90AA1HSP90AB1ALDH1A1MAPK1
SCHEMBL10095711 0.88 GRIK2 (0.41) GRIK2HSP90AA1HSP90AB1ALDH1A1MAPK1
SCHEMBL10095713 0.87 GRIK2 (0.40) GRIK2HSP90AA1HSP90AB1ALDH1A1MAPK1
SCHEMBL10095746 0.86 HSP90AA1 (0.40) GRIK2HSP90AA1HSP90AB1ALDH1A1MAPK1
SCHEMBL10095748 0.85 KDM4E (0.41) GRIK2HSP90AA1HSP90AB1ALDH1A1MAPK1
SCHEMBL10095869 0.85 HSP90AA1 (0.39) GRIK2HSP90AA1HSP90AB1ALDH1A1MAPK1
SCHEMBL10095475 0.84 CYP11B2 (0.39) GRIK2HSP90AA1HSP90AB1ALDH1A1MAPK1

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 GRIK2 4399/4885HSP90AA1 369/4885HSP90AB1 258/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP GRIK2 4491/4885HSP90AA1 148/4885HSP90AB1 66/4885

“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.