SCHEMBL18082365

SCHEMBL18082365

COc1ccc(CSC(C)(C)CC(=O)N/N=C(\C)c2ccc(OCCCC(C)=O)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL16690652 0.94 MAPT (0.52) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL18037723 0.94 MAPT (0.52) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL16692031 0.86 MEN1 (0.43) MAPTKMT2AMEN1GAATP53
SCHEMBL16646710 0.84 MAPT (0.49) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL16692026 0.83 MEN1 (0.45) MAPTKMT2AMEN1GAATP53
SCHEMBL22214478 0.82 MAPT (0.54) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL19733500 0.82 MAPT (0.47) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL17231867 0.80 MAPT (0.51) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL22746546 0.79 MAPT (0.50) MAPTKMT2AMEN1KDM4EGAA
SCHEMBL23554179 0.77 TP53 (0.46) MAPTKMT2AMEN1KDM4EGAA

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 MAPT 4253/4885KMT2A 4788/4885MEN1 3898/4885

“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