SCHEMBL4097559

SCHEMBL4097559

COc1ccc(F)cc1OB(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PTGS1 P23219 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
AHR P35869 1/20 0.41
ERN1 O75460 1/20 0.41
ENPP2 Q13822 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38

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
SCHEMBL20293537 0.92 NFE2L2 (0.44) NFE2L2FFAR1FFAR4PTGS1CYP1A2
SCHEMBL166380 0.81 NFE2L2 (0.61) NFE2L2FFAR1FFAR4PTGS1CYP1A2
SCHEMBL18472613 0.81 NFE2L2 (0.61) NFE2L2FFAR1FFAR4PTGS1CYP1A2
SCHEMBL28299621 0.79 NFE2L2 (0.59) NFE2L2FFAR1FFAR4PTGS1CYP1A2
SCHEMBL4099192 0.78 CA12 (0.65) NFE2L2CYP1A2CYP3A4CYP2C19CA12
SCHEMBL27664177 0.78 FFAR1 (0.41) FFAR1FFAR4PTGS1CA9CA14
SCHEMBL3720785 0.78 MRGPRX4 (0.40) CYP1A2CYP3A4CYP2C19ERN1CYP2C9
SCHEMBL31337818 0.78 MRGPRX4 (0.40) CYP1A2CYP3A4CYP2C19ERN1CYP2C9
SCHEMBL30523913 0.78 CA12 (0.65) NFE2L2CYP1A2CYP3A4CYP2C19CA12
SCHEMBL30300590 0.78 CA3 (0.43) NFE2L2CA9CA14ORAI1ORAI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP claimed
CN-118546148-B Fluorescent compound containing triazole, benzofuran and benzene ring fused, light conversion film and application thereof 河北美星化工有限公司 2024-12-13 CN disclosed
WO-2024222712-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2024-10-31 WO disclosed
CN-118546148-A Fluorescent compound containing triazole, benzofuran and benzene ring fused, light conversion film and application thereof 河北美星化工有限公司 2024-08-27 CN disclosed
US-8288424-B2 Substituted tetrahydroimidazopyridine compounds and the use thereof in the treatment of pain and other conditions GRUENENTHAL GMBH (DE) 2012-10-16 US disclosed
US-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-7041684-B2 Selective β3 adrenergic agonists ELI LILLY AND COMPANY (US) 2006-05-09 US disclosed
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-20020165234-A1 Selective B3 adrenergic agonists CROWELL THOMAS A (US) 2002-11-07 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
EP-0827746-B1 Carbazole analogues as selective beta3 adrenergic agonists LILLY CO ELI (US) 2002-04-03 EP disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
WO-1998009625-A1 SELECTIVE β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 1998-03-12 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-20090186902-A1 Substituted Tetrahydroimidazopyridine Compounds and the Use Thereof in the Treatment of Pain and Other Conditions HRH4, TRPV1, QDPR NFE2L2 1556/4885FFAR1 1948/4885FFAR4 1820/4885
US-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 NFE2L2 1041/4885FFAR1 94/4885FFAR4 67/4885
US-20020165234-A1 Selective B3 adrenergic agonists ADRB3, ADRB2, ADRB1 NFE2L2 955/4885FFAR1 154/4885FFAR4 72/4885

“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.