SCHEMBL3020549

SCHEMBL3020549

O=S(=O)(c1ccc(Br)cc1C(F)(F)F)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 6/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
HTT P42858 1/20 0.49
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX2 P34913 1/20 0.45
TRPV4 Q9HBA0 1/20 0.44
POLB P06746 2/20 0.43
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL12656085 0.88 KMT2A (0.51) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL840799 0.87 CNR2 (0.57) MEN1KMT2ATSHRALDH1A1PKM
SCHEMBL4741864 0.86 KMT2A (0.49) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL2964467 0.83 KMT2A (0.49) MEN1KMT2AGAAALDH1A1PKM
SCHEMBL5442261 0.79 TGM2 (0.52) MEN1KMT2AALDH1A1EPHX2
SCHEMBL3018182 0.78 GAA (0.57) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL14501504 0.78 GAA (0.56) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL2635081 0.78 PKM (0.45) MEN1KMT2AGAATSHRALDH1A1
SCHEMBL12655990 0.78 L3MBTL1 (0.48) MEN1KMT2AALDH1A1L3MBTL1PKM
SCHEMBL15010830 0.78 TSHR (0.62) MEN1KMT2AGAATSHRALDH1A1

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 MEN1 1209/4885KMT2A 399/4885GAA 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 MEN1 184/4885KMT2A 279/4885GAA 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.