SCHEMBL18037720

SCHEMBL18037720

C/C(=N\NC(=O)CC(C)(C)S)c1ccc(OCCC(C(=O)O)N2C(=O)CCC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 7/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21052221 0.89 LMNA (0.42) LMNAMAPK1MAPTMEN1KMT2A
SCHEMBL18037721 0.79 MAPT (0.42) LMNAPOLBMAPK1MAPTTP53
SCHEMBL12679101 0.79 MAPT (0.42) LMNAPOLBMAPK1MAPTTP53
SCHEMBL17231868 0.79 MAPT (0.42) LMNAPOLBMAPK1MAPTTP53
SCHEMBL21052173 0.78 MAPT (0.41) LMNAPOLBMAPTGAAMEN1
SCHEMBL16692028 0.78 MAPT (0.53) LMNAPOLBMAPK1MAPTTP53
SCHEMBL17236156 0.77 MAPT (0.50) LMNAPOLBMAPK1MAPTTP53
SCHEMBL16687019 0.77 MAPT (0.50) LMNAPOLBMAPK1MAPTTP53
SCHEMBL12679100 0.77 MAPT (0.50) LMNAPOLBMAPK1MAPTTP53
SCHEMBL29527619 0.77 MAPT (0.30) MAPTALDH1A1

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-9902691-B2 Intermediates and methods for synthesizing calicheamicin derivatives PFIZER INC. (US) 2018-02-27 — — US disclosed
US-20160251389-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2016-09-01 — — 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-20160251389-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS LMNA 1521/4885POLB 1877/4885MAPK1 2572/4885

“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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