SCHEMBL10097262

SCHEMBL10097262

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.50
HSP90AB1 P08238 6/20 0.50
GRIK2 Q13002 2/20 0.42
USP2 O75604 5/20 0.42
CYP1A2 P05177 5/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2D6 P10635 5/20 0.42
CYP2C19 P33261 5/20 0.42
CYP2C9 P11712 4/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HIF1A Q16665 2/20 0.42
MAPK1 P28482 5/20 0.41
ALDH1A1 P00352 3/20 0.41
NR3C1 P04150 3/20 0.41
PGR P06401 3/20 0.41
NR3C2 P08235 3/20 0.41
AR P10275 3/20 0.41

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
SCHEMBL10095770 0.93 HSP90AA1 (0.49) HSP90AA1HSP90AB1USP2CYP1A2CYP3A4
SCHEMBL10095687 0.92 HSP90AA1 (0.50) HSP90AA1HSP90AB1GRIK2USP2CYP1A2
SCHEMBL10095478 0.92 CYP11B2 (0.47) HSP90AA1HSP90AB1GRIK2TSHRLMNA
SCHEMBL10095711 0.91 GRIK2 (0.41) HSP90AA1HSP90AB1GRIK2TSHRLMNA
SCHEMBL10095713 0.90 GRIK2 (0.40) HSP90AA1HSP90AB1GRIK2USP2CYP1A2
SCHEMBL10097264 0.90 GRIK2 (0.40) HSP90AA1HSP90AB1GRIK2CYP1A2CYP3A4
SCHEMBL979541 0.89 GRIK2 (0.46) HSP90AA1HSP90AB1GRIK2LMNAMEN1
SCHEMBL10095746 0.89 HSP90AA1 (0.40) HSP90AA1HSP90AB1GRIK2TSHRLMNA
SCHEMBL10095714 0.88 MAPK1 (0.39) HSP90AA1HSP90AB1GRIK2TSHRLMNA
SCHEMBL10095748 0.87 KDM4E (0.41) HSP90AA1HSP90AB1GRIK2TSHRLMNA

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

“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.