SCHEMBL3012009

SCHEMBL3012009

CCN(CC)S(=O)(=O)c1ccc(Br)cc1F

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.59
LMNA P02545 5/20 0.50
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NR2F2 P24468 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NMT1 P30419 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
AKR1B1 P15121 1/20 0.42
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
SCHEMBL1684379 0.81 NMT1 (0.46) TSHRLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL3012033 0.80 TSHR (0.55) TSHRLMNAKDM4EMAPTALDH1A1
SCHEMBL198396 0.79 TSHR (0.67) TSHRLMNAKDM4EMAPTALDH1A1
SCHEMBL16011120 0.79 NMT1 (0.47) TSHRSMN1; SMN2NMT1AKR1B1L3MBTL1
SCHEMBL15032094 0.78 KCNA5 (0.62) LMNAPOLBMEN1KMT2AL3MBTL1
SCHEMBL3015009 0.76 TSHR (0.58) TSHRLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4183685 0.76 L3MBTL1 (0.52) TSHRL3MBTL1
SCHEMBL31149207 0.76 L3MBTL1 (0.52) TSHRL3MBTL1
SCHEMBL1581645 0.74 NMT1 (0.49) TSHRKMT2ANMT1AKR1B1L3MBTL1
SCHEMBL29430705 0.74 NMT1 (0.49) TSHRKMT2ANMT1AKR1B1L3MBTL1

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 TSHR 58/4885LMNA 541/4885KDM4E 503/4885
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 TSHR 517/4885LMNA 228/4885KDM4E 55/4885

“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.