SCHEMBL5327692

SCHEMBL5327692

NC(Cc1ccc2scccc1-2)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
SLC7A5 Q01650 2/20 0.45
ALPI P09923 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
KIF11 P52732 1/20 0.43
CYP2C19 P33261 1/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MEN1 O00255 4/20 0.41
LMNA P02545 4/20 0.41
KMT2A Q03164 4/20 0.41
USP2 O75604 3/20 0.41
MAPT P10636 3/20 0.41
HIF1A Q16665 2/20 0.41
KDM4E B2RXH2 2/20 0.41
BLM P54132 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
SCHEMBL5325302 0.85 KIF11 (0.41) PKMSLC7A5ALPIPTGS1XIAP
SCHEMBL8668236 0.76 MME (0.41) CYP2C19MEN1LMNAKMT2AUSP2
SCHEMBL5322739 0.76 PKM (0.45) PKMSLC7A5ALPIPTGS1XIAP
SCHEMBL9450326 0.76 ALDH1A1 (0.44) CES2CES1MEN1LMNAKMT2A
SCHEMBL15672433 0.75 ALDH1A1 (0.40) PKMSLC7A5ALPIPTGS1XIAP
SCHEMBL31631338 0.74 KMT2A (0.64) PKMSLC7A5ALPIPTGS1XIAP
SCHEMBL43292 0.74 CYP2C19 (0.70) PKMSLC7A5ALPIPTGS1XIAP
SCHEMBL288244 0.74 CYP2C19 (0.70) PKMSLC7A5ALPIPTGS1XIAP
SCHEMBL43293 0.74 CYP2C19 (0.70) PKMSLC7A5ALPIPTGS1XIAP
SCHEMBL594714 0.73 SLC7A5 (0.58) PKMSLC7A5ALPIPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 PKM 3848/4885SLC7A5 3712/4885ALPI 533/4885

“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.