SCHEMBL21544404

SCHEMBL21544404

CC(=O)NCCC(C)(C)S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
HIF1A Q16665 2/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.43
PAOX Q6QHF9 3/20 0.40
ADRA1A P35348 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
F13A1 P00488 1/20 0.35
MTNR1A P48039 5/20 0.34
MTNR1B P49286 5/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
PTGS1 P23219 1/20 0.32
BLM P54132 1/20 0.32
HSD17B10 Q99714 1/20 0.32
QPCT Q16769 1/20 0.32

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
SCHEMBL27380476 0.80 KDM4E (0.52) KDM4EHIF1AMAPK1TSHRALDH1A1
SCHEMBL426372 0.80 KDM4E (0.52) KDM4EHIF1AMAPK1TSHRALDH1A1
SCHEMBL885113 0.78 KDM4E (0.50) KDM4EHIF1AMAPK1TSHRALDH1A1
SCHEMBL23874510 0.76 EPHX1 (0.50) KDM4EALDH1A1SMN1; SMN2
SCHEMBL6386792 0.75
SCHEMBL24109302 0.74 KDM4E (0.46) KDM4EHIF1AMAPK1TSHRALDH1A1
SCHEMBL24932662 0.74 ZDHHC20 (0.48) MAPK1TSHRALDH1A1
SCHEMBL50032 0.73 KDM4E (0.50) KDM4EHIF1AMAPK1TSHRALDH1A1
SCHEMBL22372623 0.73 KDM4E (0.44) KDM4EHIF1AMAPK1TSHRALDH1A1
SCHEMBL27480231 0.73 KDM4E (0.44) KDM4EHIF1AMAPK1TSHRALDH1A1

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
US-20240409573-A1 CALICHEAMICIN DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2024-12-12 US disclosed
US-11993625-B2 Calicheamicin derivatives and antibody drug conjugates thereof PFIZER, INC. (US) 2024-05-28 US disclosed
CN-110461860-A CALICHEAMICIN DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER 2019-11-15 CN disclosed
US-20190345186-A1 CALICHEAMICIN DERATIVES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2019-11-14 US disclosed
US-20190345186-A1 CALICHEAMICIN DERATIVES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2019-11-14 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-20240409573-A1 CALICHEAMICIN DERIVATIVES AND ANTIBODY DRUG CONJUGATES THEREOF STT3A, CLSPN, STT3B KDM4E 2561/4885HIF1A 1225/4885MAPK1 3597/4885
US-20190345186-A1 CALICHEAMICIN DERATIVES AND ANTIBODY DRUG CONJUGATES THEREOF CALD1, CALU, STT3A KDM4E 3290/4885HIF1A 1687/4885MAPK1 3875/4885
US-11993625-B2 Calicheamicin derivatives and antibody drug conjugates thereof STT3A, CLSPN, STT3B KDM4E 2561/4885HIF1A 1225/4885MAPK1 3597/4885

“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.