SCHEMBL14616553

SCHEMBL14616553

C/C(=N\NC(=O)CC(C)(C)C)c1ccc(OCCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 7/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL17231868 0.93 MAPT (0.42) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL12679101 0.93 MAPT (0.42) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL18037721 0.93 MAPT (0.42) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL14616552 0.90 MAPT (0.39) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL14642912 0.89 MAPT (0.39) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL15290542 0.89 MAPT (0.39) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL20197999 0.89 MAPT (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL16693695 0.88 MAPT (0.39) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL26551381 0.87 MAPT (0.37) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL18519259 0.84 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2HPGDLMNA

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-8546549-B2 Processes for the convergent synthesis of calicheamicin derivatives WYETH LLC (US) 2013-10-01 — — US disclosed
US-20130018179-A1 PROCESSES FOR THE CONVERGENT SYNTHESIS OF CALICHEAMICIN DERIVATIVES WYETH LLC (US) 2013-01-17 — — 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-20130018179-A1 PROCESSES FOR THE CONVERGENT SYNTHESIS OF CALICHEAMICIN DERIVATIVES COASY, CALD1, CROCC MAPT 3669/4885ALDH1A1 3690/4885SMN1; SMN2 4869/4885

“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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