SCHEMBL4049397

SCHEMBL4049397

CC(C)(C)C(CS)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS2 P35354 1/20 0.43
THPO P40225 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACE P12821 2/20 0.39
PTGS1 P23219 2/20 0.36
SLC7A11 Q9UPY5 1/20 0.36
CPB2 Q96IY4 2/20 0.35
ENPEP Q07075 4/20 0.33
ALDH1A1 P00352 1/20 0.33
FOLH1 Q04609 1/20 0.33
MMP1 P03956 3/20 0.33
MME P08473 1/20 0.33
ANPEP P15144 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
SCHEMBL23855053 1.00 MAPT (0.43) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL16501784 0.82 KDM4E (0.48) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL394954 0.79 TGFBR1 (0.36) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL23855055 0.79 TGFBR1 (0.36) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL1290540 0.77 ALDH1A1 (0.37) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL793417 0.77 GABRR1 (0.33) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL3899245 0.77 GRN (0.31) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL1132971 0.76 MEN1 (0.31)
SCHEMBL5682510 0.76 CYP2D6 (0.33) MAPTKDM4ENFKB1THPOBLM
SCHEMBL19210480 0.76 CYP2D6 (0.48) MAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. 2021-09-30 US disclosed
WO-2021127302-A1 2-(1H-INDOLE-3-CARBONYL)-THIAZOLE-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
EP-1773343-A4 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2009-05-13 EP disclosed
EP-1824497-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1773343-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-04-18 EP disclosed
WO-2006050943-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO disclosed
WO-2006017326-A1 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2006-02-16 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 (1 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-20210300912-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 MAPT 4673/4885KDM4E 2120/4885THRB 119/4885

“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.