SCHEMBL20339299

SCHEMBL20339299

O=C(O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.74
HIF1AN Q9NWT6 1/20 0.71
ENPP2 Q13822 2/20 0.69
MAPT P10636 4/20 0.67
TDP1 Q9NUW8 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
MCL1 Q07820 3/20 0.67
ALDH1A1 P00352 3/20 0.67
NPSR1 Q6W5P4 3/20 0.67
POLB P06746 2/20 0.67
EIF4E P06730 1/20 0.67
EIF4G1 Q04637 1/20 0.67
THRB P10828 1/20 0.67
RECQL P46063 1/20 0.67
PKM P14618 2/20 0.67
APEX1 P27695 2/20 0.66
KDM4E B2RXH2 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
PTPN7 P35236 1/20 0.64

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
SCHEMBL20339302 1.00 STAT3 (0.74) STAT3HIF1ANENPP2MAPTTDP1
SCHEMBL23145046 0.92 STAT3 (0.76) STAT3HIF1ANENPP2MAPTTDP1
SCHEMBL46211 0.92 STAT3 (0.76) STAT3HIF1ANENPP2MAPTTDP1
SCHEMBL18301010 0.92 STAT3 (0.76) STAT3HIF1ANENPP2MAPTTDP1
SCHEMBL4892925 0.91 STAT3 (0.75) STAT3HIF1ANENPP2MAPTTDP1
SCHEMBL4892919 0.91 STAT3 (0.75) STAT3HIF1ANENPP2MAPTTDP1
SCHEMBL20348951 0.91 HIF1AN (0.67) STAT3HIF1ANENPP2MAPTTDP1
SCHEMBL20339641 0.91 ENPP2 (0.82) STAT3HIF1ANENPP2MAPTTDP1
SCHEMBL20339643 0.91 ENPP2 (0.82) STAT3HIF1ANENPP2MAPTTDP1
SCHEMBL20339289 0.91 STAT3 (0.72) STAT3HIF1ANENPP2MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 WO disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 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-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS ITGA1, ITGA4, ITGA2 STAT3 580/4885HIF1AN 277/4885ENPP2 78/4885

“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.