SCHEMBL3019250

SCHEMBL3019250

CC(C)NS(=O)(=O)c1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.55
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
RRM1 P23921 1/20 0.50
RRM2B Q7LG56 1/20 0.50
MCHR1 Q99705 6/20 0.44
ADRA2A P08913 5/20 0.44
NPY5R Q15761 5/20 0.44
PPARG P37231 1/20 0.42
IDH1 O75874 1/20 0.42
HSD17B1 P14061 3/20 0.42
HSD17B2 P37059 3/20 0.42
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
WDR5 P61964 1/20 0.41

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
SCHEMBL3018907 0.84 ALPL (0.58) ALPLCHRM2CHRM1RRM1RRM2B
SCHEMBL3019244 0.83 ALPL (0.57) ALPLCHRM2CHRM1RRM1RRM2B
SCHEMBL16186184 0.81 ALPL (0.49) ALPLCHRM2CHRM1RRM1RRM2B
SCHEMBL3017809 0.81 GLA (0.58) ALPLCHRM2CHRM1RRM1RRM2B
SCHEMBL2653076 0.79 ALPL (0.52) ALPLCHRM2CHRM1RRM1RRM2B
SCHEMBL2006625 0.79 ALPL (0.48) ALPLCHRM2CHRM1RRM1RRM2B
SCHEMBL3023079 0.78 ALPL (0.53) ALPLCHRM2CHRM1RRM1RRM2B
SCHEMBL3013193 0.78 PFKFB3 (0.44) ALPLPPARGKDM4ENPSR1
SCHEMBL3027665 0.77 MCHR1 (0.61) ALPLMCHR1ADRA2ANPY5R
SCHEMBL14676746 0.77 ALPL (0.52) ALPLMCHR1ADRA2ANPY5RPPARG

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
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
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

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 ALPL 4718/4885CHRM2 1028/4885CHRM1 842/4885
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 ALPL 4673/4885CHRM2 1284/4885CHRM1 479/4885

“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.