SCHEMBL6763535

SCHEMBL6763535

Oc1cc(F)ccc1-c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.46
PDGFRA P16234 3/20 0.46
PELI1 Q96FA3 2/20 0.44
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
TMIGD3 P0DMS9 2/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
CYP2A6 P11509 3/20 0.42
CYP2E1 P05181 2/20 0.42
CYP2B6 P20813 2/20 0.42
ERN1 O75460 2/20 0.41
TOP1 P11387 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
PDK2 Q15119 1/20 0.38
PTPRC P08575 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
SCHEMBL4450345 0.82 PDGFRB (0.47) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6
SCHEMBL6067849 0.80 PELI1 (0.53) PELI1TMIGD3ADORA2AADORA1CYP2A6
SCHEMBL6763566 0.78 PELI1 (0.49) PDGFRBPDGFRAPELI1TMIGD3ADORA2A
SCHEMBL18516477 0.78 PDGFRB (0.47) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6
SCHEMBL5704916 0.77 IMPDH2 (0.53) PELI1TMIGD3ADORA2AADORA1CYP2A6
SCHEMBL21945449 0.77 TOP1 (0.45) PELI1TMIGD3ADORA2AADORA1TOP1
Hydrochloric Acid SCHEMBL5704807 0.76 IMPDH2 (0.51) PELI1TMIGD3ADORA2AADORA1CYP2A6
SCHEMBL14987844 0.76 PDGFRB (0.45) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6
SCHEMBL18516478 0.76 KCNH2 (0.52) PDGFRBPDGFRACYP2A6CYP2E1CYP2B6
SCHEMBL14831922 0.74 CA3 (0.54) CA3CA6CA5ACA9CA14

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 PDGFRB 1256/4885PDGFRA 1794/4885PELI1 4702/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 PDGFRB 1668/4885PDGFRA 2082/4885PELI1 4523/4885

“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.