SCHEMBL3019231

SCHEMBL3019231

CCCNS(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.70
▸ CA1 P00915 2/20 0.68
▸ CA2 P00918 2/20 0.68
▸ CA12 O43570 1/20 0.68
▸ CA9 Q16790 1/20 0.68
▸ GAA P10253 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.57
▸ CYP19A1 P11511 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MMP1 P03956 2/20 0.52
▸ MMP2 P08253 2/20 0.52
▸ MMP9 P14780 2/20 0.52
▸ MMP13 P45452 2/20 0.52
▸ MMP8 P22894 1/20 0.52
▸ MMP3 P08254 1/20 0.51
▸ MMP7 P09237 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL8578107 0.89 GAA (0.69) SIGMAR1CA1CA2CA12CA9
SCHEMBL9577239 0.88 SIGMAR1 (0.68) SIGMAR1CA1CA2GAAALDH1A1
SCHEMBL21820680 0.87 ALDH1A1 (0.72) SIGMAR1CA1CA2CA12CA9
SCHEMBL10078758 0.86 ALDH1A1 (0.75) SIGMAR1CA1CA2CA12CA9
SCHEMBL12656334 0.86 ALDH1A1 (0.75) SIGMAR1CA1CA2CA12CA9
SCHEMBL3020463 0.84 ALDH1A1 (0.68) SIGMAR1CA1CA2GAAALDH1A1
SCHEMBL14303888 0.83 SIGMAR1 (0.63) SIGMAR1CA1CA2GAAALDH1A1
SCHEMBL10272435 0.82 CA12 (0.70) SIGMAR1CA1CA2CA12CA9
SCHEMBL634316 0.82 ALDH1A1 (0.71) CA1CA2CA12CA9GAA
SCHEMBL18377408 0.82 SIGMAR1 (0.67) SIGMAR1CA1CA2GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076447-B1 PARASITE CONTROL IN RUMINANTS INTERVET INT BV (NL) 2024-01-17 — — EP disclosed
WO-2014035872-A1 TRICYCLIC ALKYNES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN AMGEN INC. (US) 2014-03-06 — — WO 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
EP-2137145-A2 CYANOPYRROL SULFONAMIDES USEFUL FOR MODULATION OF THE PROGESTERONE RECEPTOR Wyeth (US) 2009-12-30 — — EP disclosed
EP-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 — — 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
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 — — 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-20100204228-A1 Aryl Sulfonamides Useful for Modulation of the Progesterone Receptor FSHR, GNRHR, CYP19A1 SIGMAR1 363/4885CA1 1620/4885CA2 2013/4885
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 SIGMAR1 2903/4885CA1 1757/4885CA2 2127/4885

“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.

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