SCHEMBL3018967

SCHEMBL3018967

O=S(=O)(NC1CCC1)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 2/20 0.48
CNR2 P34972 6/20 0.46
CNR1 P21554 4/20 0.46
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
SFRP1 Q8N474 2/20 0.43
WNT3 P56703 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PFKFB3 Q16875 1/20 0.42
ADRA2A P08913 1/20 0.41
NPY5R Q15761 1/20 0.41
MCHR1 Q99705 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL2372639 0.94 CNR2 (0.48) HTTMAPK1MAPTCNR2CNR1
SCHEMBL4735335 0.88 SFRP1 (0.57) HTTMAPK1MAPTCNR2CNR1
Hydrochloric Acid SCHEMBL4733123 0.87 SFRP1 (0.56) HTTMAPK1MAPTCNR2CNR1
SCHEMBL4794680 0.85 NR1H2 (0.46) HTTMAPK1CNR2CNR1SFRP1
SCHEMBL4734111 0.83 SFRP1 (0.51) SFRP1WNT3
SCHEMBL4784546 0.83 NR1H2 (0.46) MAPTCNR2CNR1SFRP1WNT3
SCHEMBL4780533 0.81 NR1H2 (0.43) CNR2CNR1SFRP1WNT3PFKFB3
SCHEMBL4782680 0.81 NR1H2 (0.39) HTTMAPK1MAPTCNR2CNR1
SCHEMBL3014050 0.81 HTT (0.53) HTTMAPK1MAPTLMNATP53
SCHEMBL4785515 0.81 NR1H2 (0.41) CNR2CNR1SFRP1WNT3PFKFB3

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 HTT 3715/4885MAPK1 2885/4885MAPT 4882/4885
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 HTT 3312/4885MAPK1 2079/4885MAPT 4851/4885

“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.