SCHEMBL3388602

SCHEMBL3388602

[2H]C([2H])(CNC(=O)OC(C)(C)C)C(O)c1cccc(SCC2CCCCC2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
BCHE P06276 1/20 0.37
OPRK1 P41145 2/20 0.36
OPRD1 P41143 1/20 0.36
FAAH O00519 1/20 0.35
PTGS2 P35354 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
CTSK P43235 3/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.34
NQO2 P16083 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL1725728 0.91 EPHX1 (0.39) EPHX1BCHEOPRK1OPRD1FAAH
SCHEMBL1710407 0.90 EPHX1 (0.38) EPHX1BCHEOPRK1OPRD1MALT1
SCHEMBL1710885 0.85 BCHE (0.37) BCHECTSKCTSL
SCHEMBL3386798 0.85 EPHX1 (0.39) EPHX1OPRK1OPRD1FAAHPTGS2
SCHEMBL13400277 0.83 EPHX1 (0.38) EPHX1OPRK1OPRD1FAAHPTGS2
SCHEMBL1710703 0.82 OPRK1 (0.37) EPHX1OPRK1OPRD1CTSKCTSS
SCHEMBL1710605 0.81 CA1 (0.38) EPHX1BCHEOPRK1OPRD1FAAH
SCHEMBL1724792 0.80 IL1B (0.36) MALT1NQO2
SCHEMBL13400276 0.79 EPHX1 (0.41) EPHX1MALT1CTSKNQO2CYP3A4
SCHEMBL1710644 0.79 CA12 (0.44) EPHX1CTSK

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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 EPHX1 3213/4885BCHE 2468/4885OPRK1 2942/4885

“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.