SCHEMBL3025231

SCHEMBL3025231

O=S(=O)(NC1CCC1)c1ccc(Br)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
KDM4E B2RXH2 1/20 0.57
RECQL P46063 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 2/20 0.57
HTT P42858 3/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 6/20 0.53
LMNA P02545 4/20 0.53
TP53 P04637 4/20 0.53
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL3018396 0.94 KMT2A (0.73) KMT2ATDP1KDM4ERECQLSMN1; SMN2
SCHEMBL2195922 0.87 KMT2A (0.64) KMT2ATDP1KDM4ERECQLSMN1; SMN2
SCHEMBL2195916 0.87 KMT2A (0.64) KMT2ATDP1KDM4ERECQLSMN1; SMN2
SCHEMBL17765475 0.83 KMT2A (0.55) KMT2ATDP1KDM4ERECQLSMN1; SMN2
SCHEMBL17765473 0.83 KMT2A (0.55) KMT2ATDP1KDM4ERECQLSMN1; SMN2
SCHEMBL16378516 0.83 KMT2A (0.55) KMT2ATDP1KDM4ERECQLSMN1; SMN2
SCHEMBL24496063 0.81 KMT2A (0.73) KMT2ATDP1KDM4ERECQLSMN1; SMN2
SCHEMBL19994841 0.78 ALDH1A1 (0.73) KMT2ATDP1KDM4ERECQLSMN1; SMN2
SCHEMBL30817511 0.77 KMT2A (0.48) KMT2ATDP1POLBHTTMAPK1
SCHEMBL3013547 0.77 MAPK1 (0.90) KMT2AKDM4ERECQLSMN1; SMN2POLB

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 4589/4885KDM4E 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 KMT2A 279/4885TDP1 4486/4885KDM4E 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.