Sugi Predict

Sugi Predict / Compounds / SCHEMBL669905

SCHEMBL669905

SCHEMBL669905

FC(F)(F)c1ccc(CBr)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.42
▸ MBOAT4 Q96T53 1/20 0.39
▸ KIF11 P52732 1/20 0.37
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ NR1H2 P55055 1/20 0.34
▸ PTPN1 P18031 4/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ PTPN2 P17706 1/20 0.33
▸ KDM1A O60341 2/20 0.33
▸ PTPN7 P35236 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ PYCR1 P32322 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
SCHEMBL31337557 1.00 NOTUM (0.42) NOTUMMBOAT4KIF11RXRARXRB
SCHEMBL1639279 0.83 NOTUM (0.40) NOTUMIDO1PTPN7DUSP3NPSR1
SCHEMBL30626572 0.83 NOTUM (0.40) NOTUMIDO1PTPN7DUSP3NPSR1
SCHEMBL1775215 0.83 RXRA (0.44) NOTUMKIF11RXRARXRBRXRG
SCHEMBL2038445 0.82 KIF11 (0.51) NOTUMMBOAT4KIF11RXRARXRB
SCHEMBL31142922 0.82 LOXL2 (0.43) NOTUMMBOAT4KIF11RXRARXRB
SCHEMBL4027912 0.82 LOXL2 (0.43) NOTUMMBOAT4KIF11RXRARXRB
SCHEMBL12828072 0.82 NOTUM (0.49) NOTUMMBOAT4KIF11RXRARXRB
SCHEMBL14593247 0.80 PTPN1 (0.33) NOTUMPTPN1PTPN2
SCHEMBL698164 0.79 KIF11 (0.53) KIF11KDM1ADAOCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025050636-A1 MACROCYCLIC PYRAZOLOPYRIMIDINE COMPOUND AND USE THEREOF 浙江养生堂天然药物研究所有限公司 2025-03-13 — — WO disclosed
CN-112262128-A Method for forming aryl carbon-nitrogen bond by illumination and photoreactor for carrying out the reaction 科罗拉多州立大学研究基金会 2021-01-22 — — CN disclosed
CN-110248929-A Benzylamino pyrazinyl cyclopropane-carboxylic acid, its pharmaceutical composition and purposes 勃林格殷格翰国际有限公司 2019-09-17 — — CN disclosed
CN-110177773-A Benzylaminopyridylpropylcyclopropanecarboxylic acids, pharmaceutical compositions thereof and use thereof 勃林格殷格翰国际有限公司 2019-08-27 — — CN disclosed
CN-110088089-A Benzylamino pyridyl cyclopropane formic acid, medical composition and its use 勃林格殷格翰国际有限公司 2019-08-02 — — CN disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 — — EP disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 — — EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 — — US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 — — US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 — — US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 — — US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 — — US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 — — US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 — — WO disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 — — WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 — — WO disclosed
US-6642222-B2 Useful in hyperpolarizing cell membranes, opening potassium channels, relaxing smooth muscle cells, and inhibiting bladder contractions ABBOTT LABORATORIES 2003-11-04 — — US disclosed
US-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use ABBOTT LABORATORIES 2003-03-20 — — US disclosed
EP-1278747-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE Abbott Laboratories (US) 2003-01-29 — — EP disclosed
WO-2001083484-A1 PYRANO, PIPERIDINO, AND THIOPYRANO COMPOUNDS AND METHODS OF USE ABBOTT LABORATORIES (US) 2001-11-08 — — 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 (2 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-20030055035-A1 Pyrano piperidino and thiopyrano compounds and methods of use KCNJ3, KCNJ6, KCNJ5 NOTUM 3349/4885MBOAT4 4399/4885KIF11 1859/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 NOTUM 3196/4885MBOAT4 1255/4885KIF11 3478/4885

“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.