SCHEMBL18694532

SCHEMBL18694532

[CH2]COCCOCc1cn(CCOCCOCCOCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)nn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.63
▸ SENP1 Q9P0U3 1/20 0.57
▸ CA12 O43570 4/20 0.56
▸ CA1 P00915 4/20 0.56
▸ CA2 P00918 4/20 0.56
▸ CA9 Q16790 4/20 0.56
▸ LYPLA2 O95372 1/20 0.56
▸ PKM P14618 3/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.56
▸ F2 P00734 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ TPSAB1 Q15661 1/20 0.53
▸ FOLH1 Q04609 2/20 0.51
▸ MAP1B P46821 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ JAK3 P52333 1/20 0.49

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
SCHEMBL20896874 0.93 OPRM1 (0.61) OPRM1SENP1CA12CA1CA2
SCHEMBL13735950 0.92 OPRM1 (0.66) OPRM1SENP1CA12CA1CA2
Hydrochloric Acid SCHEMBL20896828 0.91 OPRM1 (0.60) OPRM1SENP1CA12CA1CA2
SCHEMBL22473633 0.89 OPRM1 (0.64) OPRM1SENP1CA12CA1CA2
SCHEMBL29427473 0.89 OPRM1 (0.59) OPRM1SENP1CA12CA1CA2
SCHEMBL25894852 0.88 OPRM1 (0.58) OPRM1SENP1CA12CA1CA2
SCHEMBL19134196 0.88 OPRM1 (0.63) OPRM1SENP1CA12CA1CA2
SCHEMBL20896592 0.88 OPRM1 (0.61) OPRM1SENP1CA12CA1CA2
SCHEMBL20896670 0.87 CA12 (0.61) OPRM1SENP1CA12CA1CA2
SCHEMBL20904552 0.87 CA12 (0.61) OPRM1SENP1CA12CA1CA2

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-10017527-B2 KLK4 inhibitors UNIVERSITEIT ANTWERPEN (BE) 2018-07-10 — — US disclosed
US-20170101427-A1 NOVEL KLK4 INHIBITORS UNIVERSITEIT ANTWERPEN (BE) 2017-04-13 — — 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-10017527-B2 KLK4 inhibitors KLK4, KLK3, KLK1 OPRM1 1269/4885SENP1 2080/4885CA12 3969/4885
US-20170101427-A1 NOVEL KLK4 INHIBITORS KLK4, KLK3, KLK1 OPRM1 1325/4885SENP1 1989/4885CA12 4049/4885

“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.

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