SCHEMBL2220602

SCHEMBL2220602

COC(Br)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TRPA1 O75762 1/20 0.41
EPHX1 P07099 1/20 0.39
THRB P10828 1/20 0.39
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
CA4 P22748 1/20 0.38
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
Hydrochloric Acid SCHEMBL11777006 0.97 KMT2A (0.40) KMT2ATAAR1CES2CES1TRPA1
SCHEMBL6930765 0.95 KMT2A (0.39) KMT2ATAAR1CES2CES1TRPA1
SCHEMBL30692060 0.87 CYP3A4 (0.48) KMT2ATAAR1CES2CES1TRPA1
SCHEMBL11513291 0.78 CES2 (0.44) TAAR1CES2CES1TRPA1DPP4
SCHEMBL8362086 0.78 CES2 (0.44) TAAR1CES2CES1TRPA1DPP4
SCHEMBL28546195 0.75 KMT2A (0.43) KMT2ATAAR1CES2CES1TRPA1
SCHEMBL1964140 0.75 THRB (0.46) KMT2ATAAR1CES2CES1TRPA1
SCHEMBL83160 0.74 KMT2A (0.46) KMT2ACES2CES1EPHX1THRB
SCHEMBL8923611 0.74 CES2 (0.41) KMT2ATAAR1CES2CES1TRPA1
SCHEMBL7699358 0.73 UGT2B7 (0.52) KMT2A

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 155 patents — showing the first 20. 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-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-3049072-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS William Marsh Rice University (US) 2016-08-03 EP claimed
WO-2015048268-A1 SYNTHESIS OF DELTA 12-PGJ3 AND RELATED COMPOUNDS WILLIAM MARSH RICE UNIVERSITY (US) 2015-04-02 WO claimed
US-20130345196-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2013-12-26 US claimed
US-20130345235-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-12-26 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
EP-0831769-A2 NOVEL USES FOR THYROID HORMONES OR THYROID HORMONE-LIKE COMPOUNDS KARO BIO AB (SE) 1998-04-01 EP claimed
WO-1996040048-A2 NOVEL USES FOR THYROID HORMONES OR THYROID HORMONE-LIKE COMPOUNDS KARO BIO AB (SE) 1996-12-19 WO claimed
CN-116813550-B Indazole derivative, preparation method, pharmaceutical composition and application thereof Shanghai Pharmaceutical Industry Research Institute Co.,Ltd. (CN) 2026-05-26 CN disclosed
US-12384860-B2 Hybrid supported metallocene catalyst and process for preparing polyethylene copolymer using the same LG CHEM, LTD. (KR) 2025-08-12 US disclosed
US-20240352022-A1 GROUP OF IMB-C5 SERIES COMPOUNDS HAVING ANTI-CORONAVIRUS ACTIVITY AND APPLICATION THEREOF INSTITUTE OF MEDICINAL BIOTECHNOLOGY CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2024-10-24 US disclosed
CN-115785080-B Uracil parent nucleus compound and preparation method and application thereof 陕西盘龙药业集团股份有限公司 2024-10-11 CN disclosed
EP-0311694-A1 NUCLEOSIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION RIKAGAKU KENKYUSHO (JP) 1989-04-19 EP disclosed
EP-0303087-A2 Polymeric dihydroxy compounds and use thereof as stabilizers for polymers BAYER AG (DE) 1989-02-15 EP disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed
EP-0040408-A1 Beta-lactam compounds and process for production thereof SANRAKU-OCEAN CO., LTD. (JP) 1981-11-25 EP 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 (5 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-20130345235-A1 PHENOXY THIOPHENE SULFONAMIDES AND THEIR USE AS INHIBITORS OF GLUCURONIDASE CES2, TOP1, GUSB KMT2A 2947/4885TAAR1 3652/4885CES2 1/4885
US-20160237058-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE TOP2A, TOP1, PNP KMT2A 3816/4885TAAR1 3261/4885CES2 7/4885
US-20130345196-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE TOP2A, TOP1, TOP2B KMT2A 3685/4885TAAR1 3007/4885CES2 7/4885
US-20240352022-A1 GROUP OF IMB-C5 SERIES COMPOUNDS HAVING ANTI-CORONAVIRUS ACTIVITY AND APPLICATION THEREOF ACE2, C5, ACE KMT2A 4863/4885TAAR1 4821/4885CES2 2435/4885
US-20210087163-A1 PHENOXY THIOPHENE SULFONAMIDES AND OTHER COMPOUNDS FOR USE AS INHIBITORS OF BACTERIAL GLUCURONIDASE TOP2A, TOP1, PNP KMT2A 3816/4885TAAR1 3261/4885CES2 7/4885

“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.