SCHEMBL14616552

SCHEMBL14616552

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 4/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL15290542 0.92 MAPT (0.39) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL14642912 0.92 MAPT (0.39) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL14616553 0.90 MAPT (0.44) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL26551381 0.90 MAPT (0.37) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL18037721 0.88 MAPT (0.42) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL17231868 0.88 MAPT (0.42) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL12679101 0.88 MAPT (0.42) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL18519259 0.87 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL19733500 0.84 MAPT (0.47) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL14616551 0.83 LMNA (0.47) 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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