SCHEMBL81878

SCHEMBL81878

COc1ccc(C(=O)CBr)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.50
PTPN1 P18031 3/20 0.50
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
HPGDS O60760 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
NOTUM Q6P988 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
ROCK2 O75116 1/20 0.42
GPBAR1 Q8TDU6 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
SCHEMBL8908624 0.86 RARA (0.52) GSK3BPTPN1THRATHRBMAPT
SCHEMBL12336977 0.85 THRA (0.45) THRATHRBMAPTTSHRCTNNB1
SCHEMBL29638911 0.81 THRA (0.46) THRATHRBMAPTTSHRCTNNB1
SCHEMBL9205864 0.81 MEN1 (0.50) GSK3BPTPN1MAPTTSHRCTNNB1
SCHEMBL15448625 0.81 MAPT (0.47) THRATHRBMAPTTSHRCTNNB1
SCHEMBL21176907 0.81 THRA (0.46) THRATHRBMAPTTSHRCTNNB1
SCHEMBL29638900 0.81 ALDH1A1 (0.50) MAPTTSHRNOTUMCYP2C9CYP2C19
SCHEMBL79042 0.81 ALDH1A1 (0.50) MAPTTSHRNOTUMCYP2C9CYP2C19
SCHEMBL615379 0.81 CA12 (0.62) TSHRHTTKDM4EALDH1A1LMNA
SCHEMBL9201403 0.81 TSHR (0.49) GSK3BPTPN1MAPTTSHRCTNNB1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3348557-B1 IMIDAZO[1,2A]PYRIDINES FOR TREATING OR PREVENTING HYPERURICEMIA OR GOUT JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO LTD (CN) 2020-04-29 EP disclosed
EP-3348557-A1 COMPOUND FOR TREATING OR PREVENTING HYPERURICEMIA OR GOUT Jiangsu Atom Bioscience And Pharmaceutical Co., Ltd (CN) 2018-07-18 EP disclosed
WO-2017041732-A1 COMPOUND FOR TREATING OR PREVENTING HYPERURICEMIA OR GOUT 江苏新元素医药科技有限公司 2017-03-16 WO disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
EP-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-9073881-B2 Benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2015-07-07 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-02 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-8809304-B2 Amine compound and use thereof for medical purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-19 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
US-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-28 US disclosed
EP-1961734-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Mitsubishi Tanabe Pharma Corporation (JP) 2008-08-27 EP disclosed
EP-0735142-B1 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICALS CO LTD (JP) 2001-10-24 EP disclosed
US-5717116-A TREATING A MIXTURE OF PHENYLHALOGENOMETHYLCARBINOLS WITH A LIPASE IN THE PRESENCE OF A CARBOXYLATE FOLLOWED BY CYCLIZATION WITH A BASE SUMIKA FINE CHEMICALS COMPANY, LIMITED (JP) 1998-02-10 US disclosed
EP-0735142-A2 Process for producing (R)-styrene oxides SUMIKA FINE CHEMICAL COMPANY, LTD. (JP) 1996-10-02 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 (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-20090137530-A1 Amine Compound and Use Thereof for Medical Purposes HRH3, HRH2, HRH4 GSK3B 2185/4885PTPN1 875/4885THRA 705/4885
US-20140296183-A1 AMINE COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES HRH3, HRH2, HRH4 GSK3B 2185/4885PTPN1 875/4885THRA 705/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C GSK3B 1973/4885PTPN1 244/4885THRA 1980/4885

“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.