SCHEMBL20816040

SCHEMBL20816040

COC(=O)c1cc(-c2c[nH]cc2C(=O)OCc2ccccc2)cn1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GCGR P47871 1/20 0.39
▸ DHODH Q02127 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL25015538 0.92 OPRM1 (0.57) OPRM1OPRD1MAPTL3MBTL1DHODH
SCHEMBL20816043 0.83 OPRM1 (0.47) OPRM1OPRD1ALDH1A1TP53MAPT
SCHEMBL23484064 0.77 OPRM1 (0.41) OPRM1OPRD1NPSR1CYP2C9L3MBTL1
SCHEMBL20816045 0.76 LMNA (0.47) OPRM1OPRD1ALDH1A1TP53NPSR1
SCHEMBL20830347 0.73 OPRM1 (0.86) OPRM1OPRD1ALDH1A1TP53NPSR1
SCHEMBL30449714 0.70 ALDH1A1 (0.57) ALDH1A1NPSR1MAPTCYP3A4L3MBTL1
SCHEMBL6828202 0.69 MAPT (0.46) OPRM1OPRD1ALDH1A1MAPTL3MBTL1
SCHEMBL6828215 0.69 MAPT (0.51) OPRM1OPRD1MAPTL3MBTL1SMN1; SMN2
SCHEMBL6828206 0.68 MAPT (0.47) OPRM1OPRD1ALDH1A1MAPTL3MBTL1
SCHEMBL6828344 0.68 MAPT (0.44) OPRM1OPRD1ALDH1A1MAPTL3MBTL1

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-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 4790/4885ALDH1A1 3503/4885
US-20190084987-A1 Small Molecule Histone Methyltransferase SUV39H1 Inhibitor and Uses Thereof SUV39H2, SUV39H1, EZH1 OPRM1 4500/4885OPRD1 4790/4885ALDH1A1 3503/4885

“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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