Sugi Predict

Sugi Predict / Compounds / SCHEMBL1445873

SCHEMBL1445873

SCHEMBL1445873

FC(F)(F)c1cc(Br)cc(C(F)(F)F)c1.[MgH2]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.48
▸ CES2 O00748 1/20 0.44
▸ ACP1 P24666 1/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ IDO1 P14902 3/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ TMPRSS4 Q9NRS4 2/20 0.37
▸ XPO1 O14980 1/20 0.36
▸ ADRB1 P08588 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PTPN5 P54829 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAPGEF4 Q8WZA2 1/20 0.34

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
SCHEMBL131138 0.97 NOTUM (0.50) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL1082212 0.91 NOTUM (0.50) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL10872203 0.85 NOTUM (0.43) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL1104681 0.85 NOTUM (0.47) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL1845896 0.85 NOTUM (0.43) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL20817248 0.83 NOTUM (0.42) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL16421654 0.81 RXRA (0.44) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL29365971 0.81 NOTUM (0.44) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL43363 0.81 NOTUM (0.44) NOTUMCES2ACP1S1PR1S1PR3
SCHEMBL20819130 0.81 NOTUM (0.44) NOTUMCES2ACP1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040019243-A1 1,3-Bis(trifluoromethyl)benzene derivatives SYNPROTEC LIMITED (GB) 2004-01-29 — — US claimed
US-10270037-B2 Polymers, monomers and methods of forming polymers CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2019-04-23 — — US disclosed
EP-2755255-B1 Method and Compound CAMBRIDGE DISPLAY TECH LTD (GB) 2019-03-13 — — EP disclosed
US-20170098770-A1 POLYMERS, MONOMERS AND METHODS OF FORMING POLYMERS CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2017-04-06 — — US disclosed
US-9562136-B2 Polymers, monomers and methods of forming polymers CAMBRIDGE DISPLAY TECHNOLOGY, LTD. (GB) 2017-02-07 — — US disclosed
US-9269927-B2 Method and compound CAMBRIDGE DISPLAY TECHNOLOGY, LTD. (GB) 2016-02-23 — — US disclosed
US-20140235800-A1 POLYMERS, MONOMERS AND METHODS OF FORMING POLYMERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2014-08-21 — — US disclosed
US-20140193937-A1 METHOD AND COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2014-07-10 — — US disclosed
US-20140020761-A1 ORGANIC DYE MATERIAL AND DYE-SENSITIZED SOLAR CELL USING SAME KYOTO UNIVERSITY (JP) 2014-01-23 — — US disclosed
EP-2685552-A1 ORGANIC DYE MATERIAL AND DYE-SENSITIZED SOLAR CELL USING SAME Kyoto University (JP) 2014-01-15 — — EP disclosed
US-20060122224-A1 Quinoline and quinoxaline compounds BECHLE BRUCE M 2006-06-08 — — US disclosed
EP-1622872-A1 1,2,4-SUBSTITUERTE 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY Pfizer Products Inc. (US) 2006-02-08 — — EP disclosed
US-20040204450-A1 Quinoline and quinoxaline compounds PFIZER INC 2004-10-14 — — US disclosed
WO-2004085401-A1 1,2,4-SUBSTITUTED 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY PFIZER PRODUCTS INC. (US) 2004-10-07 — — WO disclosed
US-20040019243-A1 1,3-Bis(trifluoromethyl)benzene derivatives SYNPROTEC LIMITED (GB) 2004-01-29 — — US disclosed
US-20040019243-A1 1,3-Bis(trifluoromethyl)benzene derivatives SYNPROTEC LIMITED (GB) 2004-01-29 — — US disclosed
EP-1334080-A1 1,3-BIS(TRIFLUOROMETHYL)BENZENE DERIVATIVES Synprotec Limited (GB) 2003-08-13 — — EP disclosed
WO-2002024615-A1 1,3-BIS(TRIFLUOROMETHYL)BENZENE DERIVATIVES SYNPROTEC LIMITED (GB) 2002-03-28 — — WO disclosed
US-6342638-B1 Triarylphosphine oxide derivatives containing fluorine substituents KWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-01-29 — — US disclosed
EP-0426846-A1 FLUORINATED-AROMATIC SULFONIC ACID CATALYST, PROCESS FOR ITS PRODUCTION, AND ITS USE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-05-15 — — 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 (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-20170098770-A1 POLYMERS, MONOMERS AND METHODS OF FORMING POLYMERS PCNA, PARG, PARN NOTUM 2893/4885CES2 1729/4885ACP1 2243/4885
US-20060122224-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 NOTUM 696/4885CES2 487/4885ACP1 949/4885
US-10270037-B2 Polymers, monomers and methods of forming polymers PCNA, PARG, PARN NOTUM 2893/4885CES2 1729/4885ACP1 2243/4885
US-20040204450-A1 Quinoline and quinoxaline compounds LDLR, APOB, PON1 NOTUM 696/4885CES2 487/4885ACP1 949/4885

“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.