SCHEMBL686508

SCHEMBL686508

CC(C)(C)OC(=O)c1ccc(F)c(I)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
SOS1 Q07889 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRA1 P14867 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
EGFR P00533 1/20 0.32
APP P05067 1/20 0.32
RIPK1 Q13546 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL16319966 0.86 CES2 (0.55) CES2CES1CA12CA1CA2
SCHEMBL28532244 0.85 CES2 (0.35) CES2CES1SOS1CA12CA1
SCHEMBL2041421 0.81 SOS1 (0.45) CES2CES1SOS1CA12CA1
SCHEMBL680351 0.80 CES2 (0.40) CES2CES1CA12CA1CA2
SCHEMBL7596485 0.80 SOS1 (0.36) CES2CES1SOS1GABRG2GABRB3
SCHEMBL31709749 0.78 CES2 (0.46) CES2CES1CA12CA1CA2
SCHEMBL2940802 0.78 CES2 (0.38) CES2CES1CA12CA1CA2
SCHEMBL22982350 0.77 GABRG2 (0.43) CES2CES1GABRG2GABRB3GABRA5
SCHEMBL2941738 0.76 CES2 (0.37) CES2CES1CA12CA1CA2
SCHEMBL22279636 0.76 EGFR (0.42) CES2CES1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 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 (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-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A CES2 1400/4885CES1 751/4885SOS1 397/4885

“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.