SCHEMBL2372648

SCHEMBL2372648

O=S(=O)(NC1CC1)c1ccc(Br)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 4/20 0.48
LMNA P02545 3/20 0.48
TP53 P04637 3/20 0.48
NMT1 P30419 1/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 1/20 0.47
DPP4 P27487 5/20 0.46
DPP7 Q9UHL4 4/20 0.46
KCNH2 Q12809 4/20 0.46
HDAC8 Q9BY41 1/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44

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
SCHEMBL3014050 0.94 HTT (0.53) KMT2ATDP1MAPTLMNATP53
SCHEMBL31429912 0.87 MAPT (0.57) KMT2ATDP1MAPTLMNATP53
SCHEMBL21760794 0.81 TP53 (0.55) KMT2ATDP1MAPTLMNATP53
SCHEMBL2444259 0.81 CA1 (0.51) MAPTLMNAHTTGAAMAPK1
SCHEMBL2372639 0.80 CNR2 (0.48) KMT2ATDP1MAPTLMNATP53
SCHEMBL3023482 0.79 KMT2A (0.49) KMT2ATDP1MAPTLMNATP53
SCHEMBL3407035 0.79 KMT2A (0.49) KMT2ATDP1MAPTLMNATP53
SCHEMBL3529738 0.77 HDAC8 (0.52) KMT2ATDP1MAPTLMNATP53
SCHEMBL3022066 0.77 CNR2 (0.48) NMT1ADRA2ANPY5RMCHR1CNR1
SCHEMBL3006664 0.77 MCHR1 (0.66) HTTMAPK1ADRA2ANPY5RMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547204-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer Intellectual Property GmbH (DE) 2013-01-23 EP claimed
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US claimed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 WO claimed
EP-2547204-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS Bayer Intellectual Property GmbH (DE) 2013-01-23 EP disclosed
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
WO-2011113861-A2 ARYL AND HETARYL SULFONAMIDES AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 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
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 (3 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-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS STS, ARSA, TST KMT2A 1543/4885TDP1 4402/4885MAPT 4663/4885
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.