SCHEMBL12679101

SCHEMBL12679101

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL18037721 1.00 MAPT (0.42) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL17231868 1.00 MAPT (0.42) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL16693695 0.94 MAPT (0.39) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL14616553 0.93 MAPT (0.44) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL21098757 0.88 LMNA (0.42) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL21052222 0.88 LMNA (0.42) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL22787137 0.88 LMNA (0.34) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL22787187 0.88 KMT2A (0.35) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL14616552 0.88 MAPT (0.39) MAPTALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL15290542 0.87 MAPT (0.39) 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330244-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITOR-CONJUGATES AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-10-19 — — US disclosed
US-20230330244-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITOR-CONJUGATES AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-10-19 — — US disclosed
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 — — US disclosed
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-24 — — US disclosed
US-10508081-B2 Intermediates and methods for synthesizing calicheamicin derivatives PFIZER INC. (US) 2019-12-17 — — US disclosed
US-10508081-B2 Intermediates and methods for synthesizing calicheamicin derivatives PFIZER INC. (US) 2019-12-17 — — US disclosed
US-10343989-B2 Processes for the convergent synthesis of calicheamicin derivatives WYETH LLC (US) 2019-07-09 — — US disclosed
WO-2019109188-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2019-06-13 — — WO disclosed
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2018-05-17 — — US disclosed
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2018-05-17 — — US disclosed
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
US-20130018179-A1 PROCESSES FOR THE CONVERGENT SYNTHESIS OF CALICHEAMICIN DERIVATIVES WYETH LLC (US) 2013-01-17 — — US disclosed
US-8273862-B2 Processes for the convergent synthesis of calicheamicin derivatives WYETH LLC (US) 2012-09-25 — — US disclosed
US-8273862-B2 Processes for the convergent synthesis of calicheamicin derivatives WYETH LLC (US) 2012-09-25 — — US disclosed
US-20090312530-A1 Processes for the convergent synthesis of calicheamicin derivatives WYETH (US) 2009-12-17 — — US disclosed
US-20090312530-A1 Processes for the convergent synthesis of calicheamicin derivatives WYETH (US) 2009-12-17 — — US disclosed
WO-2007098124-A2 PROCESSES FOR THE CONVERGENT SYNTHESIS OF CALICHEAMICIN DERIVATIVES WYETH (US) 2007-08-30 — — WO disclosed
US-20070197455-A1 Processes for the convergent synthesis of calicheamicin derivatives WYETH (US) 2007-08-23 — — US disclosed
US-20070197455-A1 Processes for the convergent synthesis of calicheamicin derivatives WYETH (US) 2007-08-23 — — 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 (9 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 4253/4885ALDH1A1 1068/4885SMN1; SMN2 4845/4885
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS MAPT 4253/4885ALDH1A1 1068/4885SMN1; SMN2 4845/4885
US-20230330244-A1 NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITOR-CONJUGATES AND USES THEREOF NAMPT, NAPRT, NNT MAPT 200/4885ALDH1A1 610/4885SMN1; SMN2 1372/4885
US-20090312530-A1 Processes for the convergent synthesis of calicheamicin derivatives COASY, CALD1, CROCC MAPT 3669/4885ALDH1A1 3690/4885SMN1; SMN2 4869/4885
US-10343989-B2 Processes for the convergent synthesis of calicheamicin derivatives COASY, CALD1, CROCC MAPT 3669/4885ALDH1A1 3690/4885SMN1; SMN2 4869/4885
US-20130018179-A1 PROCESSES FOR THE CONVERGENT SYNTHESIS OF CALICHEAMICIN DERIVATIVES COASY, CALD1, CROCC MAPT 3669/4885ALDH1A1 3690/4885SMN1; SMN2 4869/4885
US-20070197455-A1 Processes for the convergent synthesis of calicheamicin derivatives COASY, CALD1, CROCC MAPT 3669/4885ALDH1A1 3690/4885SMN1; SMN2 4869/4885
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF KAT7, AADAC, HDAC7 MAPT 3413/4885ALDH1A1 194/4885SMN1; SMN2 4352/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 MAPT 3082/4885ALDH1A1 169/4885SMN1; SMN2 3796/4885

“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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