SCHEMBL20816042

SCHEMBL20816042

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.65
▸ OPRD1 P41143 1/20 0.65
▸ NR4A2 P43354 2/20 0.38
▸ NOD1 Q9Y239 2/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ PTGS2 P35354 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ METAP2 P50579 1/20 0.33
▸ PTGDR2 Q9Y5Y4 2/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALDH3A1 P30838 1/20 0.32

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
SCHEMBL20830347 0.87 OPRM1 (0.86) OPRM1OPRD1NOD1NOD2ALDH1A1
SCHEMBL23483863 0.79 OPRM1 (1.00) OPRM1OPRD1NOD1NOD2ALDH1A1
SCHEMBL15413322 0.77 OPRM1 (0.94) OPRM1OPRD1NOD1NOD2ALDH1A1
SCHEMBL20816038 0.76 OPRM1 (0.85) OPRM1OPRD1NOD1NOD2ALDH1A1
SCHEMBL16486105 0.63 NOD2 (0.58) NOD1NOD2PTGS2ACLY
SCHEMBL4190272 0.62 NR4A2 (0.51) OPRM1OPRD1NR4A2ALDH1A1TP53
SCHEMBL4190009 0.61 MAPT (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2ATM
SCHEMBL2775811 0.61 OPRM1 (0.46) OPRM1OPRD1NOD1NOD2ALDH1A1
SCHEMBL5250607 0.60 PPARG (0.57) NOD1NOD2ALDH1A1PTGS2KDM4E
SCHEMBL6964954 0.59 CCR2 (0.56) NOD1NOD2PTGS2ACLY

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-10577371-B2 Small molecule histone methyltransferase SUV39H1 inhibitor and uses thereof AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2020-03-03 — — US claimed
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 claimed
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 4790/4885NR4A2 3544/4885
US-20190084987-A1 Small Molecule Histone Methyltransferase SUV39H1 Inhibitor and Uses Thereof SUV39H2, SUV39H1, EZH1 OPRM1 4500/4885OPRD1 4790/4885NR4A2 3544/4885

“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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