SCHEMBL3215846

SCHEMBL3215846

O=C1C=C(c2ccc(F)cc2)CO1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.43
PTGS2 P35354 2/20 0.37
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NOTUM Q6P988 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
HSD11B1 P28845 1/20 0.33
NR3C2 P08235 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
SCHEMBL29080010 0.84 PTGS1 (0.40) PTGS1PTGS2MEN1KMT2ANOTUM
SCHEMBL17073804 0.80 NPC1 (0.43) PTGS1PTGS2CA1CA9MEN1
SCHEMBL13923616 0.80 ALDH1A1 (0.40) PTGS2CA1CA9MEN1KMT2A
SCHEMBL13492165 0.80 PTGS1 (0.41) PTGS1PTGS2CA1CA9PDE3B
SCHEMBL13492167 0.80 HTR2C (0.36) CA1CA9MEN1KMT2A
SCHEMBL3214101 0.79 BACE1 (0.42) PTGS1PTGS2NOTUM
SCHEMBL979881 0.79 KMT2A (0.45) PTGS1PTGS2CA1CA9MEN1
SCHEMBL2165399 0.76 MAPT (0.39) CA1CA9PDE3BPDE3ANOTUM
SCHEMBL7618292 0.76 PTGS2 (0.42) PTGS1PTGS2CA1CA9RAB9A
SCHEMBL30692648 0.76 CA1 (0.48) PTGS1CA1CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586618-B2 Furanone compounds and lactam analogues thereof BIOSIGNAL LIMITED (AU) 2013-11-19 US disclosed
US-8586618-B2 Furanone compounds and lactam analogues thereof BIOSIGNAL LIMITED (AU) 2013-11-19 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
US-20100035948-A1 Furanone compounds and lactam analogues thereof UNILEVER PLC (GB) 2010-02-11 US disclosed
WO-2008040097-A1 FURANONE COMPOUNDS AND LACTAM ANALOGUES THEREOF BIOSIGNAL LIMITED (AU) 2008-04-10 WO disclosed
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 (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-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 PTGS1 77/4885PTGS2 596/4885CA1 3985/4885
US-20100035948-A1 Furanone compounds and lactam analogues thereof FDPS, CYP2C19, MRPL21 PTGS1 288/4885PTGS2 267/4885CA1 3415/4885

“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.