SCHEMBL22004403

SCHEMBL22004403

CCCC(C)c1ccsc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.42
AXL P30530 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.38
GPR35 Q9HC97 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRC P08575 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
PTPRG P23470 1/20 0.35
GSK3B P49841 1/20 0.34

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
SCHEMBL2820229 0.78 AXL (0.46) ABCC1AXLLMNAKMT2AGPR35
SCHEMBL12225720 0.77 AXL (0.44) ABCC1AXLLMNAKMT2AGPR35
SCHEMBL2201666 0.76 ABCC1 (0.44) ABCC1AXLLMNAKMT2AGPR35
SCHEMBL27581548 0.75 AXL (0.43) ABCC1AXLLMNAKMT2AGPR35
SCHEMBL28373290 0.75 GPR35 (0.46) ABCC1GPR35PTPN2PTPN1
SCHEMBL25948661 0.74 AXL (0.42) ABCC1AXLLMNAKMT2AGPR35
SCHEMBL28587374 0.73 ALDH1A1 (0.46) ABCC1AXLLMNAKMT2APTPRC
SCHEMBL22426455 0.72 HCAR2 (0.32)
SCHEMBL8629027 0.71 PTPN2 (0.43) ABCC1AXLLMNAKMT2AGPR35
SCHEMBL22939893 0.69 HCAR2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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 (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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ABCC1 271/4885AXL 2819/4885LMNA 2463/4885

“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.