SCHEMBL21918985

SCHEMBL21918985

Cc1ncsc1S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.33
SLC6A3 Q01959 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
GFER P55789 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3129606 0.82 KDM4E (0.42) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL3989665 0.80 KDM4E (0.41) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL2654567 0.80 KDM4E (0.45) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL14612384 0.80 KDM4E (0.41) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL31664536 0.77 KDM4E (0.38) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL415794 0.74 KDM4E (0.36) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL21899247 0.72 GLP1R (0.35)
SCHEMBL22313509 0.72
SCHEMBL539978 0.70 KDM4E (0.33) KDM4EPKMALDH1A1LMNAMEN1
SCHEMBL15142274 0.69 BCAT1 (0.44) KDM4EPKMALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339927-A1 ATR INHIBITORS AND USES THEREOF ANTENGENE DISCOVERY LIMITED (CN) 2023-10-26 US disclosed
WO-2022002245-A1 ATR INHIBITORS AND USES THEREOF SHANGHAI ANTENGENE CORPORATION LIMITED (CN) 2022-01-06 WO disclosed
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA, INC. (CA) 2020-04-23 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 (2 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-20230339927-A1 ATR INHIBITORS AND USES THEREOF ATR, CHEK1, CHEK2 KDM4E 2648/4885PKM 1602/4885ALDH1A1 4462/4885
US-20200123117-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, NR5A1, CYP17A1 KDM4E 3774/4885PKM 2372/4885ALDH1A1 758/4885

“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.