SCHEMBL789993

SCHEMBL789993

COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 1/20 0.79
LMNA P02545 3/20 0.73
GAA P10253 2/20 0.73
MAPK1 P28482 2/20 0.73
CES1 P23141 1/20 0.73
PGR P06401 3/20 0.68
ALDH1A1 P00352 5/20 0.68
CYP19A1 P11511 1/20 0.64
PKM P14618 2/20 0.63
FFAR4 Q5NUL3 1/20 0.63
MAPT P10636 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HTT P42858 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 1/20 0.62
BLM P54132 1/20 0.62
GFER P55789 1/20 0.62

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
SCHEMBL8752481 1.00 PPIA (0.79) PPIALMNAGAAMAPK1CES1
SCHEMBL790294 0.91 GAA (0.86) LMNAGAAMAPK1PGRALDH1A1
SCHEMBL29561510 0.89 PGR (0.72) PPIALMNAGAAMAPK1CES1
SCHEMBL27180069 0.87 PPIA (0.73) PPIALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL27181616 0.87 PPIA (0.73) PPIALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL32679643 0.86 GAA (0.78) LMNAGAAMAPK1PGRALDH1A1
SCHEMBL6554630 0.86 CES1 (1.00) GAACES1PGRALDH1A1CYP19A1
SCHEMBL2474197 0.86 CES1 (1.00) GAACES1PGRALDH1A1CYP19A1
SCHEMBL7531903 0.85 PGR (0.62) PPIALMNAGAAMAPK1CES1
SCHEMBL30434229 0.85 GAA (0.76) LMNAGAAMAPK1PGRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212134-B2 Inhibitors of viral entry into mammalian cells MICROBIOTIX, INC. (US) 2015-12-15 US disclosed
US-9212134-B2 Inhibitors of viral entry into mammalian cells MICROBIOTIX, INC. (US) 2015-12-15 US disclosed
US-20130331456-A1 INHIBITORS OF VIRAL ENTRY INTO MAMMALIAN CELLS MICROBIOTIX, INC. 2013-12-12 US disclosed
EP-2616073-A2 INHIBITORS OF VIRAL ENTRY INTO MAMMALIAN CELLS Microbiotix, Inc. (US) 2013-07-24 EP disclosed
WO-2012037119-A2 INHIBITORS OF VIRAL ENTRY INTO MAMMALIAN CELLS MICROBIOTIX, INC. (US) 2012-03-22 WO disclosed
WO-2012037119-A2 INHIBITORS OF VIRAL ENTRY INTO MAMMALIAN CELLS MICROBIOTIX, INC. (US) 2012-03-22 WO disclosed
US-6706748-B2 USE AS MICROBICIDES NIHON BAYER AGROCHEM, K.K. (JP) 2004-03-16 US disclosed
US-20030220197-A1 Isothiazole derivatives NIHON BAYER AGROCHEM K.K. (JP) 2003-11-27 US disclosed
EP-1284970-A2 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2003-02-26 EP disclosed
WO-2001077090-A2 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-10-18 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-20130331456-A1 INHIBITORS OF VIRAL ENTRY INTO MAMMALIAN CELLS HAVCR2, PIGS, ZC3HAV1 PPIA 616/4885LMNA 3491/4885GAA 1278/4885
US-20030220197-A1 Isothiazole derivatives IRF3, MSR1, ARG1 PPIA 3341/4885LMNA 4878/4885GAA 2430/4885

“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.