SCHEMBL6765692

SCHEMBL6765692

Oc1cc(F)c(F)cc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 1/20 0.46
ERN1 O75460 3/20 0.45
TMIGD3 P0DMS9 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
GPR35 Q9HC97 1/20 0.42
TNFRSF1A P19438 1/20 0.40
PTPRS Q13332 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NFKB1 P19838 1/20 0.38
AHR P35869 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL14027112 0.85 RPS6KB2 (0.53) RPS6KB2ERN1TMIGD3ADORA2AADORA1
SCHEMBL2782222 0.83 NPC1 (0.46) RPS6KB2ERN1ADORA2AADORA1TNFRSF1A
SCHEMBL6067845 0.81 RPS6KB2 (0.55) RPS6KB2ERN1TMIGD3ADORA2AADORA1
SCHEMBL6764756 0.81 MAPT (0.45) RPS6KB2ERN1TMIGD3ADORA2AADORA1
SCHEMBL6764775 0.78 MAPT (0.46) RPS6KB2ERN1TMIGD3ADORA2AADORA1
SCHEMBL7157852 0.77 ESR1 (0.57) RPS6KB2ERN1TMIGD3ADORA2AADORA1
SCHEMBL6068015 0.74 TMIGD3 (0.45) RPS6KB2ERN1TMIGD3ADORA2AADORA1
SCHEMBL6068194 0.74 RPS6KB2 (0.44) RPS6KB2ERN1TMIGD3ADORA2AADORA1
SCHEMBL6068037 0.74 MAPT (0.45) RPS6KB2ERN1TMIGD3ADORA2AADORA1
SCHEMBL6067982 0.73 MAPT (0.47) RPS6KB2ERN1TMIGD3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 US disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 US disclosed
CN-1441800-A β3Adrenergic agonists LILLY CO ELI (US) 2003-09-10 CN disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 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 (2 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-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 RPS6KB2 1918/4885ERN1 3643/4885TMIGD3 1757/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 RPS6KB2 2103/4885ERN1 2827/4885TMIGD3 1941/4885

“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.