SCHEMBL21914884

SCHEMBL21914884

CC(=O)N[C@H](CN=[N+]=[N-])C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ NFKB1 P19838 1/20 0.50
▸ PTGS2 P35354 1/20 0.50
▸ THPO P40225 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ GNPAT O15228 2/20 0.36
▸ NEU4 Q8WWR8 1/20 0.35
▸ NEU3 Q9UQ49 1/20 0.35
▸ NEU2 Q9Y3R4 1/20 0.35
▸ TGFBR1 P36897 1/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL17973547 0.82 ACE (0.40) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL13881437 0.81 NEU4 (0.32) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL13483252 0.77 CTSK (0.43) IDO1ITGB3ITGA2B
SCHEMBL14593178 0.77 MTNR1A (0.35) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL15292464 0.77 — —
SCHEMBL15498915 0.74 LMNA (0.55) GNPATLMNAFOLH1ITGB3ITGA2B
SCHEMBL18028046 0.73 NEU4 (0.32) NEU4NEU3NEU2
SCHEMBL15883863 0.70 MAPT (0.50) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL15317631 0.70 — —
SCHEMBL17193565 0.70 — —

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-20200215199-A1 COMPOUNDS FOR TREATING CANCER BICYCLETX LIMITED (GB) 2020-07-09 — — US disclosed
US-10624968-B2 Compounds for treating cancer Bicyclerd Limited (GB) 2020-04-21 — — 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-10624968-B2 Compounds for treating cancer TP53, VHL, MYC MAPT 2318/4885KDM4E 826/4885THRB 4454/4885
US-20200215199-A1 COMPOUNDS FOR TREATING CANCER TP53, VHL, MYC MAPT 2318/4885KDM4E 826/4885THRB 4454/4885

“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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