SCHEMBL20348902

SCHEMBL20348902

COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)o2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
POLB P06746 3/20 0.56
PTPN22 Q9Y2R2 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
MCL1 Q07820 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
PKM P14618 1/20 0.56
PTPN7 P35236 1/20 0.56
PTPN12 Q05209 1/20 0.56
ENPP2 Q13822 2/20 0.55
EIF4E P06730 1/20 0.52
EIF4G1 Q04637 1/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAP3K5 Q99683 1/20 0.51
TNFRSF1A P19438 1/20 0.50

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
SCHEMBL20348901 0.92 SYK (0.69) SYKMEN1KMT2APOLBPTPN22
SCHEMBL20339348 0.90 ENPP2 (0.63) SYKMEN1KMT2APOLBPTPN22
SCHEMBL20339345 0.90 ENPP2 (0.63) SYKMEN1KMT2APOLBPTPN22
SCHEMBL20348888 0.85 ENPP2 (0.44) SYKMEN1KMT2APOLBPTPN22
SCHEMBL20339291 0.82 MAPT (0.69) SYKMEN1KMT2APOLBPTPN22
SCHEMBL20339295 0.82 MAPT (0.69) SYKMEN1KMT2APOLBPTPN22
SCHEMBL21950176 0.82 ENPP2 (0.44) SYKMEN1KMT2APOLBPTPN22
SCHEMBL20339643 0.80 ENPP2 (0.82) MEN1KMT2APOLBPTPN22ALDH1A1
SCHEMBL20339641 0.80 ENPP2 (0.82) MEN1KMT2APOLBPTPN22ALDH1A1
SCHEMBL4397324 0.80 SYK (0.63) SYKMEN1KMT2APOLBPTPN22

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 SYK 511/4885MEN1 3711/4885KMT2A 2000/4885

“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.