SCHEMBL2223264

SCHEMBL2223264

[CH2]c1cccc(C(Br)(Br)Br)c1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1538551 0.80 PGK1 (0.39) TSHRMAPK1
SCHEMBL3099093 0.78 KCNN4 (0.33) TSHRMAPK1
SCHEMBL97209 0.77 TSHR (0.54) TSHRMAPK1
SCHEMBL2224945 0.77 TSHR (0.48) TSHR
SCHEMBL349313 0.77 HDAC8 (0.47) TSHR
SCHEMBL2223817 0.77
SCHEMBL28141491 0.75 ESR1 (0.34) MAPK1
SCHEMBL27772236 0.75 TSHR (0.47) TSHRMAPK1
SCHEMBL27753355 0.75 TSHR (0.47) TSHRMAPK1
SCHEMBL3102919 0.73 CYP2A6 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087163-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE NORTH CAROLINA CENTRAL UNIVERSITY (US) 2021-03-25 US claimed
EP-2544535-B1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE NORTH CAROLINA CENTRAL UNIV (US) 2017-04-19 EP claimed
US-9617239-B2 Phenoxy thiophene sulfonamides and their use as inhibitors of glucuronidase NORTH CAROLINA CENTRAL UNIVERSITY (US) 2017-04-11 US claimed
US-20160237058-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE NORTH CAROLINA CENTRAL UNIVERSITY (US) 2016-08-18 US claimed
EP-2544535-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE North Carolina Central University (US) 2013-01-16 EP claimed
WO-2011112858-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE NORTH CAROLINA CENTRAL UNIVERSITY (US) 2011-09-15 WO claimed
WO-2011084503-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES NORTH CAROLINA CENTRAL UNIVERSITY (US) 2011-07-14 WO claimed
US-20210087163-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE NORTH CAROLINA CENTRAL UNIVERSITY (US) 2021-03-25 US disclosed
EP-2544535-B1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE NORTH CAROLINA CENTRAL UNIV (US) 2017-04-19 EP disclosed
US-20160237058-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE NORTH CAROLINA CENTRAL UNIVERSITY (US) 2016-08-18 US disclosed
WO-2011112858-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE NORTH CAROLINA CENTRAL UNIVERSITY (US) 2011-09-15 WO disclosed
WO-2011084503-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES NORTH CAROLINA CENTRAL UNIVERSITY (US) 2011-07-14 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 (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-20160237058-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE TOP2A, TOP1, PNP TSHR 3958/4885MAPK1 4488/4885
US-20210087163-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE TOP2A, TOP1, PNP TSHR 3958/4885MAPK1 4488/4885

“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.