SCHEMBL9967579

SCHEMBL9967579

Cc1ccc(S(=O)(=O)n2cc(C)c3cc(F)cnc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
HTR6 P50406 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP3A4 P08684 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41
SLC6A3 Q01959 1/20 0.41
POLB P06746 1/20 0.40
ALDH3A1 P30838 1/20 0.40
HTT P42858 1/20 0.40
NOD1 Q9Y239 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
SCHEMBL18053332 0.88 HTR6 (0.44) PTPN11HTR6PDE4APDE4BPDE4C
SCHEMBL29604791 0.87 CA1 (0.46) PTPN11HTR6L3MBTL1CYP3A4POLB
SCHEMBL16884156 0.87 PTPN11 (0.41) PTPN11L3MBTL1POLBALDH3A1HTT
SCHEMBL20846089 0.87 BRD4 (0.51) PTPN11L3MBTL1POLBALDH3A1HTT
SCHEMBL14685251 0.87 CA1 (0.46) PTPN11HTR6L3MBTL1CYP3A4POLB
SCHEMBL14883425 0.84 CYP3A4 (0.54) PTPN11HTR6PDE4APDE4BPDE4C
SCHEMBL15882765 0.84 ENPP3 (0.44) PTPN11HTR6PDE4APDE4BPDE4C
Potassium Ion SCHEMBL20548099 0.84 PTPN11 (0.39) PTPN11HTR6L3MBTL1POLBALDH3A1
Boric Acid SCHEMBL28547119 0.84 PTPN11 (0.41) PTPN11HTR6PDE4APDE4BPDE4C
SCHEMBL22838078 0.83 PTPN11 (0.44) PTPN11HTR6PDE4APDE4BPDE4C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019057660-A1 INDOLE AND AZAINDOLE COMPOUNDS WITH SUBSTITUTED 6-MEMBERED ARYL AND HETEROARYL RINGS AS AGROCHEMICAL FUNGICIDES BASF SE (DE) 2019-03-28 WO disclosed
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
WO-2016183116-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-17 WO disclosed
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 US disclosed
WO-2012083122-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-06-21 WO 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-10023569-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H PTPN11 1607/4885HTR6 4164/4885PDE4A 772/4885
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION ZC3HAV1, ZC3HAV1L, POLR2H PTPN11 1607/4885HTR6 4164/4885PDE4A 772/4885

“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.