SCHEMBL12315464

SCHEMBL12315464

CC1(C[18F])C=Cc2cc(SCc3ccc(C(C)(C)C)cc3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ SCN9A Q15858 3/20 0.32
▸ SCN5A Q14524 2/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ HIF1A Q16665 4/20 0.31
▸ EPAS1 Q99814 4/20 0.31
▸ DAO P14920 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12315463 0.86 HIF1A (0.42) HIF1AEPAS1
SCHEMBL14666102 0.78 HIF1A (0.39) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL13071766 0.76 PTGS1 (0.40) PTGS1PTGS2XDHHIF1AALDH1A1
SCHEMBL12315468 0.76 PTGS1 (0.40) PTGS1PTGS2XDHHIF1AALDH1A1
SCHEMBL12315595 0.75 COXFA4 (0.40) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL9475096 0.70 HIF1A (0.52) HIF1AEPAS1MAOAMAOB
SCHEMBL12315465 0.68 HIF1A (0.35) HIF1AEPAS1ALDH1A1NPC1RAB9A
SCHEMBL8316093 0.65 PTGS1 (0.47) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL9581577 0.64 ALDH1A1 (0.43) PTGS1PTGS2XDHHIF1AEPAS1
SCHEMBL13535471 0.64 COXFA4 (0.58) HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING LANTHEUS MEDICAL IMAGING, INC. (US) 2013-01-31 — — US disclosed
US-8263042-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING, INC. (US) 2012-09-11 — — US disclosed
US-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING CITIZENS BANK, N.A. 2009-04-23 — — US disclosed
US-7485283-B2 Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING (US) 2009-02-03 — — US 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-20090104118-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 PTGS1 713/4885PTGS2 2745/4885XDH 4704/4885
US-20130028837-A1 CONTRAST AGENTS FOR MYOCARDIAL PERFUSION IMAGING TNNI3, TNNT2, FABP3 PTGS1 713/4885PTGS2 2745/4885XDH 4704/4885

“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.

Send feedback