SCHEMBL2129695

SCHEMBL2129695

CS(=O)(=O)Nc1ccc(Br)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
PGR P06401 8/20 0.43
SLC22A12 Q96S37 3/20 0.42
NR3C1 P04150 3/20 0.41
NR3C2 P08235 3/20 0.41
AR P10275 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 1/20 0.40

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
SCHEMBL1627994 0.81 SLC22A12 (0.49) CA12CA1CA2CA9IKBKB
SCHEMBL6857747 0.80 PGR (0.52) GRM4PGRSLC22A12NR3C1NR3C2
SCHEMBL13065706 0.79 SLC22A12 (0.43) IKBKBCHUKPGRSLC22A12NR3C1
SCHEMBL13365322 0.78 BRPF1 (0.42) GRM4SLC22A12
SCHEMBL6863684 0.78 ALDH1A1 (0.60) PGRSLC22A12NR3C1NR3C2AR
SCHEMBL2678340 0.77 SLC22A12 (0.62) PGRSLC22A12NR3C1NR3C2AR
SCHEMBL2034092 0.75 LMNA (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL526634 0.74 HPGD (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL1542615 0.74 ADRA2C (0.49) CA12CA1CA2CA9PGR
SCHEMBL849569 0.73 ALDH1A1 (0.63) GRM4CA12CA1CA2CA9

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-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP disclosed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B GRM4 4577/4885CA12 4866/4885CA1 4874/4885

“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.