SCHEMBL2297359

SCHEMBL2297359

FC(F)(F)c1ccc(C#CCBr)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.44
GSK3B P49841 2/20 0.41
PTPN1 P18031 1/20 0.41
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
IDO1 P14902 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
MGLL Q99685 1/20 0.34
MIF P14174 1/20 0.34
MAOB P27338 1/20 0.34
AOC3 Q16853 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
SCHEMBL16747679 0.79 KIF11 (0.56) KIF11TAAR1ALDH1A1TSHRCES2
SCHEMBL14998069 0.79 KIF11 (0.56) KIF11TAAR1ALDH1A1TSHRCES2
SCHEMBL1745119 0.79 KIF11 (0.44) KIF11GSK3BPTPN1TAAR1ALDH1A1
SCHEMBL28847040 0.79 RARB (0.47) KIF11TSHRMAOBAOC3
SCHEMBL5894329 0.79 IDO1 (0.35) ALDH1A1IDO1CES2
SCHEMBL7039272 0.79 CYP2C19 (0.54) KIF11TAAR1IDO1MAOBAOC3
SCHEMBL3943848 0.79 KIF11 (0.44) KIF11TAAR1ALDH1A1TSHRIDO1
Hydrochloric Acid SCHEMBL21803745 0.78 BLM (0.55) KIF11TAAR1IDO1MAOBAOC3
SCHEMBL5482239 0.76 KIF11 (0.41) KIF11TAAR1ALDH1A1TSHRIDO1
SCHEMBL4020265 0.76 GABRP (0.44) KIF11TAAR1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023229295-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER COMPRISING PHENYLPROPENE DERIVATIVE AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2023-11-30 WO disclosed
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
US-8362011-B2 Tricyclic triazolic compounds LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-01-29 US disclosed
US-8362011-B2 Tricyclic triazolic compounds LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-01-29 US disclosed
EP-2227476-B1 TRICYCLIC TRIAZOLIC COMPOUNDS ESTEVE LABOR DR (ES) 2011-09-07 EP disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20100298309-A1 TRICYCLIC TRIAZOLIC COMPOUNDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-11-25 US disclosed
US-20100298309-A1 TRICYCLIC TRIAZOLIC COMPOUNDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-11-25 US disclosed
US-20100267778-A1 Diphenyl ether compound, process for producing the same, and use ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 US disclosed
EP-2227476-A1 TRICYCLIC TRIAZOLIC COMPOUNDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-09-15 EP disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
EP-2070933-A1 Tricyclic triazolic compounds Laboratorios del Dr. Esteve S.A. (ES) 2009-06-17 EP disclosed
WO-2009071657-A1 TRICYCLIC TRIAZOLIC COMPOUNDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-06-11 WO disclosed
EP-1940811-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES Bayer HealthCare AG (DE) 2008-07-09 EP disclosed
WO-2007045366-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
EP-1661879-A1 DIPHENYL ETHER COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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 (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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 KIF11 4835/4885GSK3B 973/4885PTPN1 3484/4885
US-20100267778-A1 Diphenyl ether compound, process for producing the same, and use PPARG, PPARD, PPARA KIF11 4556/4885GSK3B 1472/4885PTPN1 1148/4885
US-20100298309-A1 TRICYCLIC TRIAZOLIC COMPOUNDS SIGMAR1, OPRK1, OPRM1 KIF11 4269/4885GSK3B 1077/4885PTPN1 2924/4885

“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.