SCHEMBL20339643

SCHEMBL20339643

O=C(O)c1ccc(-c2ccc(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)o2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.82
STAT3 P40763 1/20 0.72
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
POLB P06746 3/20 0.65
MCL1 Q07820 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
EIF4E P06730 1/20 0.64
EIF4G1 Q04637 1/20 0.64
THRB P10828 1/20 0.64
RECQL P46063 1/20 0.64
NLRP3 Q96P20 2/20 0.61
PKM P14618 2/20 0.61
PTPN7 P35236 1/20 0.61
PTPN12 Q05209 1/20 0.61
PTPN22 Q9Y2R2 1/20 0.61
HIF1AN Q9NWT6 1/20 0.59

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
SCHEMBL20339641 1.00 ENPP2 (0.82) ENPP2STAT3MEN1KMT2APOLB
SCHEMBL20339302 0.91 STAT3 (0.74) ENPP2STAT3MEN1KMT2APOLB
SCHEMBL20339299 0.91 STAT3 (0.74) ENPP2STAT3MEN1KMT2APOLB
SCHEMBL23145046 0.91 STAT3 (0.76) ENPP2STAT3MEN1KMT2APOLB
SCHEMBL18301010 0.91 STAT3 (0.76) ENPP2STAT3MEN1KMT2APOLB
SCHEMBL46211 0.91 STAT3 (0.76) ENPP2STAT3MEN1KMT2APOLB
SCHEMBL4892919 0.91 STAT3 (0.75) ENPP2STAT3MEN1KMT2APOLB
SCHEMBL4892925 0.91 STAT3 (0.75) ENPP2STAT3MEN1KMT2APOLB
SCHEMBL684546 0.90 ENPP2 (1.00) ENPP2STAT3MEN1KMT2APOLB
SCHEMBL20339287 0.88 STAT3 (0.72) ENPP2STAT3MEN1KMT2APOLB

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-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

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 ENPP2 78/4885STAT3 580/4885MEN1 3711/4885

“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.