SCHEMBL513288

SCHEMBL513288

COCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.50
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
SLC6A4 P31645 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
EPHX1 P07099 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28017391 0.85 ALDH1A1 (0.44) GRIN2BALDH1A1TSHRSLC6A4MRGPRX4
SCHEMBL28780545 0.83 TSHR (0.47) ALDH1A1TSHRSLC6A4CARM1PRMT6
SCHEMBL155707 0.80 TSHR (0.58) GRIN2BALDH1A1TSHRSLC6A4BCHE
SCHEMBL16215598 0.80 ALDH1A1 (0.42) GRIN2BALDH1A1TSHRSLC6A4CARM1
SCHEMBL22386786 0.80 ALDH1A1 (0.46) GRIN2BALDH1A1TSHRSLC6A4MRGPRX4
SCHEMBL15800265 0.80 TSHR (0.50) GRIN2BALDH1A1TSHRSLC6A4CARM1
SCHEMBL1715035 0.79 IDO1 (0.59)
SCHEMBL513287 0.79 ALDH1A1 (0.45) GRIN2BALDH1A1TSHRSLC6A4MRGPRX4
SCHEMBL14163891 0.79 RXRA (0.56) TSHRMRGPRX4
SCHEMBL21649307 0.79 EPHX1 (0.46) GRIN2BALDH1A1TSHRSLC6A4MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO disclosed
WO-2023109926-A1 SPIROOXINDOLE COMPOUND AND USE THEREOF IN PREPARATION OF PROTEASE INHIBITOR AS ANTIVIRAL DRUG 南京药石科技股份有限公司 2023-06-22 WO disclosed
EP-3601231-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-10 EP disclosed
EP-3974423-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2022-03-30 EP disclosed
US-11160280-B2 Pesticial compounds BASF SE (DE) 2021-11-02 US disclosed
WO-2020233669-A1 INDOLE DERIVATIVE-CONTAINING INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 (CN) 2020-11-26 WO disclosed
US-20200029566-A1 Pesticial Compounds BASF SE (DE) 2020-01-30 US disclosed
WO-2018144900-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-08-09 WO disclosed
US-9939555-B2 Cinnamic acid derivative, polymer thereof, and liquid crystal alignment layer comprising cured product thereof DIC CORPORATION (JP) 2018-04-10 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 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 (7 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH GRIN2B 4219/4885ALDH1A1 654/4885TSHR 332/4885
US-11160280-B2 Pesticial compounds PNMT, DDT, NIT2 GRIN2B 2960/4885ALDH1A1 1844/4885TSHR 2753/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 GRIN2B 355/4885ALDH1A1 2435/4885TSHR 348/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 GRIN2B 315/4885ALDH1A1 3084/4885TSHR 267/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 GRIN2B 3905/4885ALDH1A1 279/4885TSHR 477/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR GRIN2B 791/4885ALDH1A1 2333/4885TSHR 161/4885
US-20200029566-A1 Pesticial Compounds PNMT, DDT, NIT2 GRIN2B 2960/4885ALDH1A1 1844/4885TSHR 2753/4885

“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.