SCHEMBL5233154

SCHEMBL5233154

O=C1CC(c2ccc(F)cc2)=CO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.36
ESR2 Q92731 1/20 0.35
NOTUM Q6P988 1/20 0.34
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPT P10636 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 3/20 0.33
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PGR P06401 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
SCHEMBL5361952 0.74 PTGS2 (0.44) PTGS1ALDH1A1PTGS2
SCHEMBL14791383 0.66
SCHEMBL3223866 0.64 GRM2 (0.38) NOTUMHTTMAPTALDH1A1HPGD
SCHEMBL29080010 0.64 PTGS1 (0.40) PTGS1NOTUMHTTNPC1RAB9A
SCHEMBL3215846 0.64 PTGS1 (0.43) PTGS1NOTUMHTTNPC1RAB9A
SCHEMBL7973057 0.64 HSD11B1 (0.36) PTGS1HTTNPC1RAB9AHSD11B1
SCHEMBL5234054 0.64 NCOA1 (0.50) NOTUMMAPTUSP2ALDH1A1HPGD
SCHEMBL13221422 0.63 MAPK14 (0.41) PTGS1HTTNPC1RAB9AMAPT
SCHEMBL8681494 0.63 MAPK14 (0.41) PTGS1NOTUMNPC1RAB9APTGS2
SCHEMBL9812881 0.63 NPC1 (0.44) PTGS1NOTUMNPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 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 (1 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-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 PTGS1 77/4885ESR2 1796/4885NOTUM 3638/4885

“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.