SCHEMBL3013547

SCHEMBL3013547

O=S(=O)(NC1CCC1)c1ccc(Br)cc1

nearest known ligand 0.90

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.90
HTT P42858 1/20 0.90
SMN1; SMN2 Q16637 3/20 0.75
KDM4E B2RXH2 1/20 0.75
RECQL P46063 1/20 0.75
ALDH1A1 P00352 7/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
LMNA P02545 3/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
GAA P10253 1/20 0.55
HSP90AA1 P07900 1/20 0.54
POLB P06746 1/20 0.54
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL13846055 0.95 MAPK1 (1.00) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL12719599 0.95 MAPK1 (1.00) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL2834532 0.95 MAPK1 (1.00) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL10082160 0.95 MAPK1 (1.00) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL1659340 0.92 MAPK1 (0.83) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL24762156 0.84 MAPK1 (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL2197985 0.84 MAPK1 (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL3917510 0.84 HTT (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL2196807 0.84 MAPK1 (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL
SCHEMBL2196811 0.84 MAPK1 (0.71) MAPK1HTTSMN1; SMN2KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3786156-A1 10H-PHENOTHIAZINE FERROPTOSIS INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Chengdu Henghao Investment Co. Limited (CN) 2021-03-03 EP disclosed
US-20160052937-A1 Tetrahydroimidazo[1,5-d][1,4]oxazepine compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-02-25 US 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
EP-2035372-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-03-18 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
WO-2008005338-A1 MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 WO 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-20100204228-A1 Aryl Sulfonamides Useful for Modulation of the Progesterone Receptor FSHR, GNRHR, CYP19A1 MAPK1 2885/4885HTT 3715/4885SMN1; SMN2 2785/4885
US-20160052937-A1 Tetrahydroimidazo[1,5-d][1,4]oxazepine compound GRIN1, GRM1, CACNA1D MAPK1 913/4885HTT 1119/4885SMN1; SMN2 1817/4885
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 MAPK1 2079/4885HTT 3312/4885SMN1; SMN2 3864/4885

“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.