SCHEMBL21937147

SCHEMBL21937147

CC(C)(C)C(=O)CC1(CCc2cn(CCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)NN1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.60
PKM P14618 3/20 0.57
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
SIRT2 Q8IXJ6 1/20 0.50
SENP1 Q9P0U3 1/20 0.50
LYPLA2 O95372 1/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
TPSAB1 Q15661 1/20 0.49
FOLH1 Q04609 3/20 0.45
MAP1B P46821 1/20 0.45
HSP90AB1 P08238 1/20 0.44
CD22 P20273 1/20 0.44

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
SCHEMBL21937148 0.92 OPRM1 (0.60) OPRM1PKMCA12CA1CA2
SCHEMBL19134196 0.86 OPRM1 (0.63) OPRM1PKMCA12CA1CA2
SCHEMBL13735950 0.86 OPRM1 (0.66) OPRM1PKMCA12CA1CA2
SCHEMBL22473633 0.85 OPRM1 (0.64) OPRM1PKMCA12CA1CA2
SCHEMBL21937144 0.85 TDP1 (0.43) OPRM1PKMCA12CA1CA2
SCHEMBL22631672 0.83 OPRM1 (0.59) OPRM1PKMCA12CA1CA2
SCHEMBL20904570 0.83 OPRM1 (0.59) OPRM1PKMCA12CA1CA2
SCHEMBL26431288 0.82 OPRM1 (0.63) OPRM1PKMCA12CA1CA2
SCHEMBL20896592 0.82 OPRM1 (0.61) OPRM1PKMCA12CA1CA2
SCHEMBL18694532 0.82 OPRM1 (0.63) OPRM1PKMCA12CA1CA2

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-20200102320-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION AND ELIMINATION OF ZIKA INFECTION AND USES FOR SAME CORNELL UNIVERSITY 2020-04-02 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-20200102320-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION AND ELIMINATION OF ZIKA INFECTION AND USES FOR SAME ZC3HAV1, HAVCR2, CUL3 OPRM1 4417/4885PKM 2173/4885CA12 2121/4885

“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.