SCHEMBL20829933

SCHEMBL20829933

COC(=O)[C@H](Cc1c[nH]c2c(OC)cccc12)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.65
CTSL P07711 2/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
SCN9A Q15858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACE P12821 1/20 0.47
KMT2A Q03164 2/20 0.46
HTR2A P28223 1/20 0.46
KLK7 P49862 1/20 0.46
MEN1 O00255 1/20 0.46
HCRTR1 O43613 1/20 0.46
CACNA1B Q00975 1/20 0.46
EPHX2 P34913 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL22882661 0.89 TACR1 (0.57) TACR1CTSLCTSSCTSKMAPT
SCHEMBL21666672 0.89 TACR1 (0.60) TACR1CTSLCTSSCTSKMAPT
SCHEMBL21644791 0.88 TACR1 (0.56) TACR1CTSLCTSSCTSKMAPT
SCHEMBL31725831 0.88 TACR1 (0.56) TACR1CTSLCTSSCTSKMAPT
SCHEMBL30121703 0.88 TACR1 (0.56) TACR1CTSLCTSSCTSKMAPT
SCHEMBL21644792 0.88 TACR1 (0.56) TACR1CTSLCTSSCTSKMAPT
SCHEMBL21644784 0.88 MAPT (0.59) TACR1CTSLCTSSCTSKMAPT
SCHEMBL21644783 0.88 MAPT (0.59) TACR1CTSLCTSSCTSKMAPT
SCHEMBL23649364 0.87 TACR1 (0.57) TACR1CTSLCTSSCTSKMAPT
SCHEMBL23649362 0.87 TACR1 (0.57) TACR1CTSLCTSSCTSKMAPT

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 TACR1 3388/4885CTSL 2790/4885CTSS 2902/4885
US-20190083519-A1 MITHRAMYCIN DERIVATIVES HAVING INCREASED SELECTIVITY AND ANTI-CANCER ACTIVITY TFAM, ELF3, TEAD4 TACR1 3388/4885CTSL 2790/4885CTSS 2902/4885

“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.