SCHEMBL20829978

SCHEMBL20829978

COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.62
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ HCRTR1 O43613 1/20 0.61
▸ ERAP2 Q6P179 5/20 0.61
▸ IL1RN P18510 5/20 0.61
▸ ERAP1 Q9NZ08 3/20 0.61
▸ ANPEP P15144 1/20 0.61
▸ OPRM1 P35372 1/20 0.59
▸ OPRD1 P41143 1/20 0.59
▸ ACE P12821 1/20 0.57

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
SCHEMBL30374944 0.96 ERAP2 (0.61) OPRK1KMT2AMEN1HCRTR1ERAP2
SCHEMBL20829962 0.96 ERAP2 (0.61) OPRK1KMT2AMEN1HCRTR1ERAP2
SCHEMBL20829913 0.93 KMT2A (0.66) KMT2AMEN1HCRTR1ERAP2IL1RN
SCHEMBL30800609 0.93 KMT2A (0.66) KMT2AMEN1HCRTR1ERAP2IL1RN
Hydrochloric Acid SCHEMBL11663648 0.92 IL1RN (0.59) OPRK1ERAP2IL1RNERAP1ANPEP
SCHEMBL17534499 0.89 MEN1 (0.61) KMT2AMEN1HCRTR1ERAP2IL1RN
SCHEMBL17534495 0.89 MEN1 (0.61) KMT2AMEN1HCRTR1ERAP2IL1RN
SCHEMBL2182644 0.89 LTA4H (0.69) KMT2AMEN1ERAP2ERAP1ACE
SCHEMBL2182648 0.89 LTA4H (0.69) KMT2AMEN1ERAP2ERAP1ACE
SCHEMBL31477993 0.89 LTA4H (0.69) KMT2AMEN1ERAP2ERAP1ACE

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-11224609-B2 Mithramycin derivatives having increased selectivity and anti-cancer activity UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-01-18 — — US disclosed
US-20190083519-A1 MITHRAMYCIN DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY UNITED STATES 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-11224609-B2 Mithramycin derivatives having increased selectivity and anti-cancer activity TFAM, ELF3, TEAD4 OPRK1 4074/4885KMT2A 93/4885MEN1 153/4885
US-20190083519-A1 MITHRAMYCIN DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY TFAM, ELF3, TEAD4 OPRK1 4074/4885KMT2A 93/4885MEN1 153/4885

“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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