SCHEMBL16128886

SCHEMBL16128886

Cc1ccc(OP(=O)(N[C@@H](C)C(=O)OCC(C)(C)C)Oc2cccc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ BTN3A1 O00481 10/20 0.38
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL15343937 0.90 MEN1 (0.46) MEN1KMT2ANPSR1BTN3A1CARM1
SCHEMBL15343939 0.90 MEN1 (0.46) MEN1KMT2ANPSR1BTN3A1CARM1
SCHEMBL14934096 0.89 HTT (0.36) BTN3A1CARM1PRMT6HTTKDM4E
SCHEMBL18476530 0.88 ITGA4 (0.38) MEN1KMT2ANPSR1BTN3A1LMNA
SCHEMBL14934182 0.88 ITGA4 (0.38) MEN1KMT2ANPSR1BTN3A1LMNA
SCHEMBL14934170 0.88 ITGA4 (0.38) MEN1KMT2ANPSR1BTN3A1LMNA
SCHEMBL15343930 0.88 MEN1 (0.55) MEN1KMT2ANPSR1BTN3A1LMNA
SCHEMBL15343931 0.88 MEN1 (0.55) MEN1KMT2ANPSR1BTN3A1LMNA
SCHEMBL15203122 0.87 BTN3A1 (0.40) MEN1KMT2ABTN3A1CARM1PRMT6
SCHEMBL16015977 0.84 BTN3A1 (0.49) MEN1KMT2ANPSR1BTN3A1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140286903-A1 Substituted Purine Nucleosides, Phosphoramidate and Phosphordiamidate Derivatives for Treatment if Viral Infections INHIBITEX, INC. (US) 2014-09-25 — — 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 (1 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-20140286903-A1 Substituted Purine Nucleosides, Phosphoramidate and Phosphordiamidate Derivatives for Treatment if Viral Infections PNP, TYMP, SLC29A1 MEN1 2615/4885KMT2A 3852/4885NPSR1 1812/4885

“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.

Send feedback