SCHEMBL16687019

SCHEMBL16687019

CC(=NNC(=O)CC(C)(C)S)c1ccc(OCCCC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ POLB P06746 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ TP53 P04637 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HPGD P15428 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PKM P14618 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
SCHEMBL12679100 1.00 MAPT (0.50) MAPTPOLBLMNAMAPK1MEN1
SCHEMBL17236156 1.00 MAPT (0.50) MAPTPOLBLMNAMAPK1MEN1
SCHEMBL17231867 0.92 MAPT (0.51) MAPTPOLBLMNAMAPK1MEN1
SCHEMBL14616550 0.92 MAPT (0.53) MAPTPOLBLMNAMAPK1MEN1
SCHEMBL16692028 0.87 MAPT (0.53) MAPTPOLBLMNAMAPK1MEN1
SCHEMBL22787195 0.85 LMNA (0.39) POLBLMNAMAPK1KMT2AALDH1A1
SCHEMBL21098733 0.85 LMNA (0.48) MAPTLMNAMAPK1MEN1KMT2A
SCHEMBL22787130 0.85 LMNA (0.39) POLBLMNAMAPK1KMT2AALDH1A1
SCHEMBL29526638 0.85 LMNA (0.39) POLBLMNAMAPK1KMT2AALDH1A1
SCHEMBL22773527 0.85 KMT2A (0.41) MAPTPOLBLMNAMAPK1MEN1

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 8 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-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2018-05-17 — — US disclosed
US-9902691-B2 Intermediates and methods for synthesizing calicheamicin derivatives PFIZER INC. (US) 2018-02-27 — — US disclosed
EP-3066074-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES Pfizer Inc. (US) 2016-09-14 — — EP disclosed
US-20160251389-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2016-09-01 — — US disclosed
WO-2015063680-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2015-05-07 — — WO 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 (4 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 4253/4885POLB 1877/4885LMNA 1521/4885
US-20160251389-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS MAPT 4253/4885POLB 1877/4885LMNA 1521/4885
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS MAPT 4253/4885POLB 1877/4885LMNA 1521/4885
US-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE CALD1, CALR, CLSPN MAPT 2033/4885POLB 1774/4885LMNA 2630/4885

“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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