SCHEMBL556336

SCHEMBL556336

CC(=O)/C=C/c1ccc(F)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IAPP P10997 1/20 0.59
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.56
NFE2L2 Q16236 2/20 0.53
GLA P06280 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
APP P05067 3/20 0.51
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP1B1 Q16678 1/20 0.51
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
FDPS P14324 1/20 0.47
PLA2G7 Q13093 2/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
BACE1 P56817 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL556337 1.00 IAPP (0.59) IAPPPTGS1PTGS2NFE2L2GLA
SCHEMBL21986697 0.85 IAPP (0.71) IAPPPTGS1NFE2L2GLATDP1
SCHEMBL21986701 0.85 IAPP (0.71) IAPPPTGS1GLATDP1APP
SCHEMBL30739991 0.85 IAPP (0.71) IAPPPTGS1GLATDP1APP
SCHEMBL5335763 0.85 IAPP (0.56) IAPPPTGS1PTGS2NFE2L2GLA
SCHEMBL21986845 0.85 IAPP (0.71) IAPPPTGS1GLATDP1APP
SCHEMBL5335769 0.85 IAPP (0.56) IAPPPTGS1PTGS2NFE2L2GLA
SCHEMBL21986702 0.85 IAPP (0.71) IAPPPTGS1NFE2L2GLATDP1
SCHEMBL3572968 0.84 HSD11B1 (0.61) PTGS2NFE2L2CYP1A1CYP1A2CYP1B1
SCHEMBL3572966 0.84 HSD11B1 (0.61) PTGS2NFE2L2CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
US-20110150834-A1 CRTH2 MODULATORS WELLS FARGO BANK, NATIONAL ASSOCIATION 2011-06-23 US disclosed
US-20110150834-A1 CRTH2 MODULATORS WELLS FARGO BANK, NATIONAL ASSOCIATION 2011-06-23 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 IAPP 2234/4885PTGS1 649/4885PTGS2 726/4885
US-20110150834-A1 CRTH2 MODULATORS HRH2, HRH1, NR1H2 IAPP 4418/4885PTGS1 100/4885PTGS2 63/4885

“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.