SCHEMBL2836829

SCHEMBL2836829

CN(C)S(=O)(=O)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 3/20 0.43
PFKFB3 Q16875 1/20 0.39
KCNJ6 P48051 1/20 0.37
KCNJ3 P48549 1/20 0.37
KDM1A O60341 2/20 0.37
TRPV4 Q9HBA0 1/20 0.36
HSD11B1 P28845 3/20 0.36
HRH4 Q9H3N8 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL29451966 0.87 GSTO1 (0.52) GSTO1KCNJ6KCNJ3KDM1AHSD11B1
SCHEMBL3012033 0.83 TSHR (0.55) CNR2CNR1ALDH1A1LMNAMAPT
SCHEMBL16976286 0.81 GSTO1 (0.44) GSTO1KCNJ6KCNJ3TRPV4CNR2
SCHEMBL30945237 0.81 PFKFB3 (0.41) PFKFB3KDM1ATRPV4HSD11B1CA1
SCHEMBL709661 0.81 PFKFB3 (0.41) PFKFB3KDM1ATRPV4HSD11B1CA1
SCHEMBL12040965 0.80 GSTO1 (0.43) GSTO1KCNJ6KCNJ3TRPV4HSD11B1
SCHEMBL4638585 0.80 GAA (0.47) GSTO1KCNJ6KCNJ3TRPV4HSD11B1
SCHEMBL4194854 0.78 DDR1 (0.46) PFKFB3KDM1ATRPV4HSD11B1CA1
SCHEMBL24869560 0.78 GSTO1 (0.41) GSTO1KCNJ6KCNJ3TRPV4HSD11B1
SCHEMBL12059398 0.78 GSTO1 (0.44) GSTO1KCNJ6KCNJ3TRPV4HSD11B1

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-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2010-08-26 US disclosed
US-20100204228-A1 Aryl Sulfonamides Useful for Modulation of the Progesterone Receptor WYETH LLC (US) 2010-08-12 US disclosed
US-7723332-B2 Aryl sulfonamides useful for modulation of the progesterone receptor WYETH LLC (US) 2010-05-25 US disclosed
US-7709488-B2 Imidazopyridine-derivatives as inducible no-synthase inhibitors ALTANA PHARMA AG (DE) 2010-05-04 US disclosed
EP-2137145-A2 CYANOPYRROL SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR Wyeth (US) 2009-12-30 EP disclosed
WO-2008109055-A2 CYANOPYRROLE SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR WYETH (US) 2008-09-12 WO disclosed
US-20080221201-A1 4-(5-cyano-1-methyl-1H-pyrrol-2-yl)-N-methylbenzenesulfonamide; contraception, treating or preventing fibroids, uterine leiomyomata, endometriosis, dysfunctional bleeding, polycystic ovary syndrome, or hormone-dependent carcinomas, providing hormone replacement therapy, stimulating food intake WYETH (US) 2008-09-11 US disclosed
EP-1670796-B1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NYCOMED GMBH (DE) 2008-06-25 EP disclosed
EP-1670796-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA Pharma AG (DE) 2006-06-21 EP disclosed
WO-2005030770-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS ALTANA PHARMA AG (DE) 2005-04-07 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 (3 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-20100204228-A1 Aryl Sulfonamides Useful for Modulation of the Progesterone Receptor FSHR, GNRHR, CYP19A1 GSTO1 3142/4885PFKFB3 4141/4885KCNJ6 1065/4885
US-20100216790-A1 IMIDAZOPYRIDINE-DERIVATIVES AS INDUCIBLE NO-SYNTHASE INHIBITORS NOS2, NOS1, NOS3 GSTO1 1137/4885PFKFB3 2205/4885KCNJ6 1430/4885
US-20080221201-A1 4-(5-cyano-1-methyl-1H-pyrrol-2-yl)-N-methylbenzenesulfonamide; contraception, treating or preventing fibroids, uterine leiomyomata, endometriosis, dysfunctional bleeding, polycystic ovary syndrome, or hormone-dependent carcinomas, providing hormone replacement therapy, stimulating food intake PKD1, PKD2, SHBG GSTO1 3423/4885PFKFB3 3265/4885KCNJ6 1317/4885

“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.