SCHEMBL3014050

SCHEMBL3014050

O=S(=O)(NC1CCC1)c1ccc(Br)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 3/20 0.52
NMT1 P30419 1/20 0.46
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
DPP4 P27487 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL2372648 0.94 KMT2A (0.51) HTTMAPK1GAANPSR1MAPT
SCHEMBL31429912 0.81 MAPT (0.57) HTTMAPK1GAANPSR1MAPT
SCHEMBL3018967 0.81 HTT (0.49) HTTMAPK1GAANPSR1MAPT
SCHEMBL3027665 0.78 MCHR1 (0.61) HTTMAPK1MAPTLMNATP53
SCHEMBL5504038 0.78 ALDH1A1 (0.61) HTTMAPK1GAANPSR1MAPT
SCHEMBL23613810 0.75 SMN1; SMN2 (0.69) HTTGAATP53SMN1; SMN2ALDH1A1
SCHEMBL12572471 0.75 GAA (0.56) HTTGAANPSR1MAPTLMNA
SCHEMBL21760794 0.75 TP53 (0.55) HTTMAPK1GAANPSR1MAPT
SCHEMBL16225504 0.75 MEN1 (0.68) HTTMAPK1GAANPSR1MAPT
SCHEMBL2444259 0.75 CA1 (0.51) HTTMAPK1GAAMAPTLMNA

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 2885/4885GAA 4842/4885
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 2079/4885GAA 4879/4885

“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.