SCHEMBL18037723

SCHEMBL18037723

COc1ccc(CSC(C)(C)CC(=O)NN=C(C)c2ccc(OCCCC(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.52
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ LMNA P02545 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ GAA P10253 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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 1.00 MAPT (0.52) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL18082365 0.94 MAPT (0.53) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL16692031 0.93 MEN1 (0.43) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL14616550 0.83 MAPT (0.53) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL14616551 0.82 LMNA (0.47) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL16692026 0.82 MEN1 (0.45) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL15290549 0.82 LMNA (0.46) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL14642673 0.80 LMNA (0.44) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL17236156 0.80 MAPT (0.50) MAPTKMT2AMEN1LMNAPOLB
SCHEMBL16687019 0.80 MAPT (0.50) MAPTKMT2AMEN1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047287-B Intermediates and methods for the synthesis of calicheamicin derivatives 辉瑞大药厂 2021-04-27 — — CN disclosed
US-10508081-B2 Intermediates and methods for synthesizing calicheamicin derivatives PFIZER INC. (US) 2019-12-17 — — US disclosed
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2018-05-17 — — US disclosed
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 (3 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-10508081-B2 Intermediates and methods for synthesizing calicheamicin derivatives CALR, CALD1, CYCS MAPT 4253/4885KMT2A 4788/4885MEN1 3898/4885
US-20160251389-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS MAPT 4253/4885KMT2A 4788/4885MEN1 3898/4885
US-20180134656-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.

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