SCHEMBL20830347

SCHEMBL20830347

COC(=O)c1cc2c(n1S(=O)(=O)c1ccc(Cl)cc1)C(=O)C(=O)c1[nH]cc(C(=O)OCc3ccccc3)c1-2

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.86
▸ OPRD1 P41143 1/20 0.86
▸ NOD2 Q9HC29 1/20 0.41
▸ NOD1 Q9Y239 1/20 0.41
▸ GCGR P47871 1/20 0.39
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ GPBAR1 Q8TDU6 4/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36

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
SCHEMBL23483863 0.93 OPRM1 (1.00) OPRM1OPRD1NOD2NOD1MAPT
SCHEMBL15413322 0.89 OPRM1 (0.94) OPRM1OPRD1NOD2NOD1MAPT
SCHEMBL20816042 0.87 OPRM1 (0.65) OPRM1OPRD1NOD2NOD1TP53
SCHEMBL20816038 0.85 OPRM1 (0.85) OPRM1OPRD1NOD2NOD1TP53
SCHEMBL20830348 0.74 OPRM1 (0.49) OPRM1OPRD1GCGRTP53MAPT
SCHEMBL20816040 0.73 OPRM1 (0.48) OPRM1OPRD1NOD2NOD1GCGR
SCHEMBL20816045 0.65 LMNA (0.47) OPRM1OPRD1NOD2NOD1TP53
SCHEMBL25015538 0.65 OPRM1 (0.57) OPRM1OPRD1MAPTMEN1KMT2A
SCHEMBL16486105 0.62 NOD2 (0.58) NOD2NOD1PTGS2
SCHEMBL21901813 0.62 TSHR (0.54) MAPTMEN1KMT2AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340127-A1 METHODS AND COMPOSITIONS FOR CANCER TREATMENT BY INHIBITION OF FBXO44 Sanford Burnham Prebys Medical Discovery Institute 2023-10-26 — — US claimed
US-20230340127-A1 METHODS AND COMPOSITIONS FOR CANCER TREATMENT BY INHIBITION OF FBXO44 Sanford Burnham Prebys Medical Discovery Institute 2023-10-26 — — US disclosed
US-10577371-B2 Small molecule histone methyltransferase SUV39H1 inhibitor and uses thereof AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2020-03-03 — — US disclosed
US-20190084987-A1 Small Molecule Histone Methyltransferase SUV39H1 Inhibitor and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-21 — — 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-10577371-B2 Small molecule histone methyltransferase SUV39H1 inhibitor and uses thereof SUV39H2, SUV39H1, EZH1 OPRM1 4500/4885OPRD1 4790/4885NOD2 2651/4885
US-20190084987-A1 Small Molecule Histone Methyltransferase SUV39H1 Inhibitor and Uses Thereof SUV39H2, SUV39H1, EZH1 OPRM1 4500/4885OPRD1 4790/4885NOD2 2651/4885

“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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