SCHEMBL3023482

SCHEMBL3023482

O=S(=O)(NC1CC1)c1cc(F)c(Br)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.47
DPP4 P27487 6/20 0.44
KCNH2 Q12809 4/20 0.44
DPP7 Q9UHL4 4/20 0.44
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DPP8 Q6V1X1 3/20 0.42
DPP9 Q86TI2 3/20 0.42
HDAC8 Q9BY41 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
BRD4 O60885 1/20 0.40
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL3407035 0.93 KMT2A (0.49) KMT2ATDP1MAPTDPP4KCNH2
SCHEMBL3404360 0.86 ALOX5AP (0.43) KMT2ATDP1MAPTDPP4KCNH2
SCHEMBL5355687 0.82 HSD17B1 (0.41) KMT2ATDP1MAPTDPP4KCNH2
SCHEMBL5355689 0.82 HSD17B1 (0.41) KMT2ATDP1MAPTDPP4KCNH2
SCHEMBL31429912 0.79 MAPT (0.57) KMT2ATDP1MAPTTP53LMNA
SCHEMBL2372648 0.79 KMT2A (0.51) KMT2ATDP1MAPTDPP4KCNH2
SCHEMBL3020363 0.76 CNR2 (0.46) CNR1CNR2ALOX5APFEN1
SCHEMBL24496063 0.75 KMT2A (0.73) KMT2ATDP1MAPTTP53LMNA
SCHEMBL3018396 0.75 KMT2A (0.73) KMT2ATDP1MAPTTP53LMNA
SCHEMBL1510320 0.75 NR3C1 (0.42) LMNAL3MBTL1ALOX5APFEN1

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 KMT2A 399/4885TDP1 4589/4885MAPT 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 KMT2A 279/4885TDP1 4486/4885MAPT 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.