SCHEMBL4883231

SCHEMBL4883231

FC(F)(F)c1c[nH]c(COCc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
FABP4 P15090 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
IDO1 P14902 1/20 0.35
AGXT P21549 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
TACR1 P25103 2/20 0.34
MAPT P10636 1/20 0.33
GHSR Q92847 1/20 0.33
DHODH Q02127 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL5440060 0.85 TSHR (0.46) TSHRHRH4HRH3IDO1AGXT
SCHEMBL28838831 0.81 TAAR1 (0.43) TSHRFABP4HRH3POLB
Hydrochloric Acid SCHEMBL28813143 0.78 TAAR1 (0.41) TSHRFABP4HRH3KDM4EPOLB
SCHEMBL24105171 0.76 TSHR (0.50) TSHRHRH4HRH3IDO1AGXT
SCHEMBL4887410 0.74 TSHR (0.47) TSHRHRH4HRH3IDO1AGXT
SCHEMBL4903117 0.73 TSHR (0.46) TSHRHRH4HRH3IDO1AGXT
SCHEMBL8799687 0.73 TSHR (0.46) TSHRHRH4HRH3IDO1AGXT
SCHEMBL20470736 0.71 TSHR (0.43) TSHRTACR1DHODHALDH1A1
SCHEMBL4886762 0.71 TSHR (0.43) TSHRFABP4CA1CA2CA7
SCHEMBL10554420 0.71 PRMT5 (0.49) KDM4EDHODHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210387968-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2021-12-16 US disclosed
US-20210387968-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2021-12-16 US disclosed
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
WO-2020160213-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 WO 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
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
EP-1740550-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV Pfizer Limited (GB) 2007-01-10 EP disclosed
WO-2006072833-A1 IMIDAZOLE DERIVATIVES AS ENZYME REVERSE TRANSCRIPTASE MODULATORS PFIZER LIMITED (GB) 2006-07-13 WO disclosed
WO-2005100322-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV PFIZER LIMITED (GB) 2005-10-27 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 (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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 TSHR 3874/4885FABP4 2498/4885HRH4 530/4885
US-20210387968-A1 HETEROARYLMETHYLENE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB TSHR 4067/4885FABP4 4453/4885HRH4 3104/4885
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof FASN, FADS1, COASY TSHR 3343/4885FABP4 99/4885HRH4 2510/4885
US-20080176919-A1 Imidazole Derivatives As Enzyme Reverse Transcriptase Modulators POLRMT, POLR1G, POLR2A TSHR 1981/4885FABP4 3054/4885HRH4 1048/4885

“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.