SCHEMBL160725

SCHEMBL160725

COc1cc(F)c(CBr)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.61
ALDH1A1 P00352 1/20 0.43
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
CYP1A2 P05177 2/20 0.38
CPS1 P31327 2/20 0.36
MEP1B Q16820 1/20 0.35
NQO2 P16083 1/20 0.34
HDAC1 Q13547 1/20 0.34
TRAP1 Q12931 2/20 0.34
HSP90B1 P14625 1/20 0.34
CYP3A4 P08684 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL16562819 0.79 TAAR1 (0.40) TAAR1
SCHEMBL13073165 0.79 TAAR1 (0.63) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL15056309 0.78 NQO1 (0.41) TAAR1ALDH1A1CPS1CYP3A4
SCHEMBL14853644 0.78 TAAR1 (0.39) TAAR1MAOAFFAR1
SCHEMBL25329989 0.77 TAAR1 (0.61) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL855100 0.77 TAAR1 (0.73) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL4573222 0.77 TAAR1 (0.61) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL3776543 0.77 TAAR1 (0.61) TAAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL23495416 0.77 TAAR1 (0.37) TAAR1ALDH1A1MAOBCPS1FFAR4
SCHEMBL24103085 0.77 TAAR1 (0.46) TAAR1ALDH1A1MAOAMAOBCYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409542-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2024-12-12 US disclosed
EP-4408845-A1 NOVEL COMPOUNDS Sitryx Therapeutics Limited (GB) 2024-08-07 EP disclosed
CN-111132972-B Small molecule modulators of human STING 克拉德夫制药有限公司 2024-07-12 CN disclosed
CN-118139864-A New compounds 西特瑞治疗有限公司 2024-06-04 CN disclosed
EP-3590340-B1 INTERMEDIATES FOR THE SYNTHESIS OF FUNGICIDAL PYRAZOLES FMC CORP (US) 2023-11-15 EP disclosed
WO-2023052783-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-04-06 WO disclosed
US-11571423-B2 Small molecule modulators of human sting CURADEV PHARMA LIMITED (GB) 2023-02-07 US disclosed
EP-3642198-B1 SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LTD (GB) 2022-03-16 EP disclosed
US-20210179578-A1 OX1 ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-06-17 US disclosed
US-20210179578-A1 OX1 ANTAGONISTS HEPTARES THERAPEUTICS LTD (GB) 2021-06-17 US disclosed
WO-2010101973-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-09-10 WO disclosed
EP-2124970-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008087198-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 WO disclosed
WO-2008087198-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 WO disclosed
EP-1912656-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2008-04-23 EP disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US disclosed
WO-2007014895-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO disclosed
WO-2007014895-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 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 (4 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-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives IAPP, G6PC1, GPR119 TAAR1 3676/4885ALDH1A1 459/4885KDM1A 1948/4885
US-20210179578-A1 OX1 ANTAGONISTS HCRTR1, HCRTR2, OXTR TAAR1 29/4885ALDH1A1 974/4885KDM1A 503/4885
US-11571423-B2 Small molecule modulators of human sting STING1, IRF3, CGAS TAAR1 4217/4885ALDH1A1 4772/4885KDM1A 3918/4885
US-20240409542-A1 NOVEL COMPOUNDS CD47, GPR119, LRBA TAAR1 3312/4885ALDH1A1 291/4885KDM1A 956/4885

“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.