SCHEMBL4886762

SCHEMBL4886762

FC(F)(F)c1nc(COCc2ccccc2)[nH]c1I

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
DAO P14920 1/20 0.38
HCAR2 Q8TDS4 1/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
TACR1 P25103 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GHSR Q92847 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
FABP4 P15090 1/20 0.32

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
Iodide SCHEMBL5208788 0.99 TSHR (0.42) TSHRDAOHCAR2SCN10ATACR1
SCHEMBL20470736 0.83 TSHR (0.43) TSHRDAOHCAR2SCN10ATACR1
SCHEMBL4883243 0.75 TSHR (0.44) TSHRHCAR2CA1CA2CA7
SCHEMBL4899447 0.73 TSHR (0.42) TSHRHCAR2SLC6A4
SCHEMBL4883231 0.71 TSHR (0.46) TSHRTACR1CA1CA2CA7
SCHEMBL4886521 0.69 ALDH1A1 (0.39) TSHRHCAR2SCN10A
SCHEMBL31233365 0.67 HCAR2 (0.35) TSHRDAOHCAR2
SCHEMBL31233419 0.67 TSHR (0.35) TSHRHCAR2SCN10A
SCHEMBL5311581 0.66 TSHR (1.00) TSHRTACR1CA1CA2CA7
SCHEMBL27380 0.66 TSHR (1.00) TSHRTACR1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
CN-106061963-B Heterocyclic modulators of lipid synthesis and combinations thereof 3-V生物科学股份有限公司 2019-10-22 CN disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 US disclosed
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 US disclosed
US-10118913-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-11-06 US disclosed
US-10053450-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-08-21 US disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
WO-2015095767-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF 3-V BIOSCIENCES, INC. (US) 2015-06-25 WO disclosed
EP-2870150-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V Biosciences, Inc. (US) 2015-05-13 EP disclosed
WO-2014008197-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-01-09 WO disclosed
WO-2014008197-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. (US) 2014-01-09 WO disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators PFIZER INC 2008-07-24 US disclosed
US-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US disclosed
EP-1838679-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS Pfizer Limited (GB) 2007-10-03 EP disclosed
WO-2006072833-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS PFIZER LIMITED (GB) 2006-07-13 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 (6 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-10118913-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 TSHR 3069/4885DAO 1681/4885HCAR2 512/4885
US-10053450-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 TSHR 3069/4885DAO 1681/4885HCAR2 512/4885
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 TSHR 3069/4885DAO 1681/4885HCAR2 512/4885
US-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 TSHR 3874/4885DAO 1574/4885HCAR2 3972/4885
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof FASN, FADS1, COASY TSHR 3343/4885DAO 2299/4885HCAR2 363/4885
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators POLRMT, POLR1G, POLR2A TSHR 1981/4885DAO 2113/4885HCAR2 4372/4885

“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.