SCHEMBL3363359

SCHEMBL3363359

CC(C)(C)OC(=O)NS(=O)(=O)c1ccc(F)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.45
TRPA1 O75762 1/20 0.45
ACLY P53396 2/20 0.44
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
SLC22A12 Q96S37 7/20 0.41
ALOX5 P09917 1/20 0.40
EGLN2 Q96KS0 1/20 0.38
SGK1 O00141 1/20 0.38
STS P08842 1/20 0.38
EPAS1 Q99814 1/20 0.38
PLA2G7 Q13093 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL31332036 0.81 IDO1 (0.43) ALOX5STSCA12CA1CA7
SCHEMBL22718344 0.81 IDO1 (0.43) ALOX5STSCA12CA1CA7
SCHEMBL30817562 0.78 IDO1 (0.43) ALOX5STSCA12CA1CA7
SCHEMBL20766835 0.77 ACLY (0.50) ACLYHSP90AA1HSP90AB1SLC22A12SGK1
SCHEMBL31219250 0.76 GRM4 (0.51) RORCTRPA1EGLN2CA12CA1
SCHEMBL13244157 0.76 GRM4 (0.51) RORCTRPA1EGLN2CA12CA1
SCHEMBL15358865 0.75 ACLY (0.56) ACLYHSP90AA1HSP90AB1SLC22A12SGK1
SCHEMBL10153815 0.75 ACLY (0.53) ACLYHSP90AA1HSP90AB1SLC22A12SGK1
SCHEMBL31225158 0.75 RAPGEF3 (0.52) ALOX5CA1
SCHEMBL6495011 0.74 STS (0.61) STSCA12CA1CA7CA14

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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A RORC 4382/4885TRPA1 2737/4885ACLY 3148/4885

“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.