Sugi Predict

Sugi Predict / Compounds / SCHEMBL168886

SCHEMBL168886

SCHEMBL168886

Cc1ccccc1C(Br)C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ACP3 P15309 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ SLC6A2 P23975 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ SLC6A3 Q01959 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CASP1 P29466 1/20 0.31
▸ CYP2D6 P10635 3/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL5618308 0.78 ESR1 (0.45) ESR1ALDH1A1TSHRACP3ACHE
SCHEMBL7042926 0.77 ESR1 (0.48) ESR1ALDH1A1TSHRACP3ACHE
SCHEMBL5236808 0.76 CYP1A2 (0.48) ALDH1A1TSHRMAPTGRIN2DGRIN3B
SCHEMBL840498 0.76 CA1 (0.39) ALDH1A1TSHRACHECA1CA2
SCHEMBL166469 0.76 IDO1 (0.37) ALDH1A1GAACYP3A4CA1CA2
SCHEMBL2550047 0.76 ESR1 (0.46) ESR1ALDH1A1TSHRACP3ACHE
SCHEMBL21495057 0.76 IDO1 (0.37) ALDH1A1GAACYP3A4CA1CA2
SCHEMBL9165865 0.76 ESR1 (0.46) ESR1ALDH1A1TSHRACP3ACHE
SCHEMBL169082 0.75 CA1 (0.46) ALDH1A1TSHRACHEGAAMEN1
SCHEMBL6010012 0.75 GABRA1 (0.40) TSHRSLC6A2SLC6A4SLC6A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10308605-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-04 — — US disclosed
EP-3237385-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2017-11-01 — — EP disclosed
EP-3226858-A1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS Procomcure Biotech GmbH (AT) 2017-10-11 — — EP disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 — — EP disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 — — WO disclosed
WO-2016087615-A1 NOVEL IMIDAZOLE-BASED HETEROCYCLIC COMPOUNDS PROCOMCURE BIOTECH GMBH (AT) 2016-06-09 — — WO disclosed
WO-2016087616-A1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2016-06-09 — — WO disclosed
WO-2016087618-A1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2016-06-09 — — WO disclosed
WO-2016071216-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-05-12 — — WO disclosed
EP-2336107-B1 Proton pump inhibitors TAKEDA PHARMACEUTICAL (JP) 2015-09-23 — — EP disclosed
EP-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 — — EP disclosed
WO-2012061342-A2 SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS ARQULE, INC. (US) 2012-05-10 — — WO disclosed
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 — — WO disclosed
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 — — US disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 — — EP disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 — — US disclosed
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 — — US disclosed
EP-1885704-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF Abbott Laboratories (US) 2008-02-13 — — EP disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 — — EP disclosed
WO-2006122250-A2 ANTAGONISTS OF THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LABORATORIES (US) 2006-11-16 — — 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 (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-10308605-B2 Proton pump inhibitors HRH2, HRH4, HRH1 ESR1 1615/4885ALDH1A1 2593/4885TSHR 171/4885
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use PTGER1, PTGER3, NR3C1 ESR1 335/4885ALDH1A1 1764/4885TSHR 402/4885
US-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 ESR1 1803/4885ALDH1A1 2505/4885TSHR 146/4885

“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.