SCHEMBL16690673

SCHEMBL16690673

COC(=O)CC(C)(C)SCc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
IDO1 P14902 2/20 0.44
F2RL1 P55085 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
EPHX2 P34913 1/20 0.43
RAB9A P51151 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
LDHA P00338 1/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL8746191 0.87 HTT (0.55) MEN1KMT2AHTTGAAIDO1
SCHEMBL8746178 0.86 IDO1 (0.45) TP53MEN1KMT2AHTTGAA
SCHEMBL16692027 0.86 MAPT (0.43) TP53MEN1KMT2AMAPTNPC1
SCHEMBL8746111 0.86 LDHA (0.46) MEN1KMT2AHTTIDO1F2RL1
SCHEMBL8746134 0.85 IDO1 (0.44) MEN1KMT2AHTTIDO1F2RL1
SCHEMBL8746120 0.84 CA1 (0.46) MEN1KMT2AHTTGAAIDO1
SCHEMBL25018885 0.83 HTT (0.48) MEN1KMT2AHTTGAAIDO1
SCHEMBL20435394 0.82 HTT (0.44) MEN1KMT2AHTTGAAIDO1
SCHEMBL20425141 0.82 ALDH1A1 (0.39) TP53MEN1KMT2AHTTGAA
SCHEMBL9973241 0.81 IDO1 (0.44) MEN1KMT2AHTTIDO1F2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2023-02-14 US disclosed
US-20210106694-A1 HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2021-04-15 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
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-9902691-B2 Intermediates and methods for synthesizing calicheamicin derivatives PFIZER INC. (US) 2018-02-27 US disclosed
US-9872922-B2 Anti-EFNA4 antibody-drug conjugates PFIZER INC. (US) 2018-01-23 US disclosed
US-20170072066-A1 ANTI-EFNA4 ANTIBODY-DRUG CONJUGATES PFIZER, INC. (US) 2017-03-16 US disclosed
US-20160251389-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES PFIZER INC. (US) 2016-09-01 US disclosed
US-9381205-B2 Anti-EFNA4 antibody-drug conjugates PFIZER, INC. (US) 2016-07-05 US disclosed
US-20150125472-A1 ANTI-EFNA4 ANTIBODY-DRUG CONJUGATES STEM CENTRX, INC. (US) 2015-05-07 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 (8 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 TP53 2630/4885MEN1 3898/4885KMT2A 4788/4885
US-20160251389-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS TP53 2630/4885MEN1 3898/4885KMT2A 4788/4885
US-20210106694-A1 HETEROCYCLIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF HDAC6, C9, AADAC TP53 3682/4885MEN1 876/4885KMT2A 606/4885
US-20180134656-A1 INTERMEDIATES AND METHODS FOR SYNTHESIZING CALICHEAMICIN DERIVATIVES CALR, CALD1, CYCS TP53 2630/4885MEN1 3898/4885KMT2A 4788/4885
US-20170072066-A1 ANTI-EFNA4 ANTIBODY-DRUG CONJUGATES EFNA1, ACTN4, AFF4 TP53 3254/4885MEN1 3636/4885KMT2A 2007/4885
US-20200397916-A1 ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF KAT7, AADAC, HDAC7 TP53 3920/4885MEN1 1615/4885KMT2A 1440/4885
US-20150125472-A1 ANTI-EFNA4 ANTIBODY-DRUG CONJUGATES EFNA1, ACTN4, AFF4 TP53 3254/4885MEN1 3636/4885KMT2A 2007/4885
US-11576981-B2 Acyl hydrazone linkers, methods and uses thereof AADAC, HDAC8, KAT8 TP53 4093/4885MEN1 1412/4885KMT2A 1433/4885

“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.