SCHEMBL3386798

SCHEMBL3386798

CC(CCNC(=O)OC(C)(C)C)c1cccc(SCC2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
ACACB O00763 1/20 0.38
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
FAAH O00519 1/20 0.36
PTGS2 P35354 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
CTSK P43235 2/20 0.35
CTSS P25774 1/20 0.35
NQO2 P16083 1/20 0.35
KCNA5 P22460 1/20 0.35
CYP3A4 P08684 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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 0.90 EPHX1 (0.39) EPHX1MALT1OPRK1OPRD1FAAH
SCHEMBL1710407 0.89 EPHX1 (0.38) EPHX1MALT1OPRK1OPRD1UTS2R
SCHEMBL13400277 0.89 EPHX1 (0.38) EPHX1MALT1OPRK1OPRD1FAAH
SCHEMBL3390167 0.86 CTSK (0.37) OPRK1OPRD1CTSKCYP3A4
SCHEMBL3388602 0.85 EPHX1 (0.38) EPHX1MALT1OPRK1OPRD1FAAH
SCHEMBL1710703 0.84 OPRK1 (0.37) EPHX1OPRK1OPRD1UTS2RCTSK
SCHEMBL2208528 0.82 KAT6A (0.44) EPHX1ACACBFAAHPTGS2GPR88
SCHEMBL1724792 0.81 IL1B (0.36) MALT1ACACBUTS2RGPR88NQO2
SCHEMBL13400275 0.81 ACACB (0.41) EPHX1MALT1ACACBOPRK1OPRD1
SCHEMBL13400276 0.80 EPHX1 (0.41) EPHX1MALT1ACACBCTSKNQO2

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 2 patents. 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
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 3213/4885MALT1 2589/4885ACACB 2089/4885

“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.