SCHEMBL2585461

SCHEMBL2585461

COC(=O)C(CO)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.47
STS P08842 7/20 0.47
KMT2A Q03164 3/20 0.46
MAPK1 P28482 1/20 0.45
YAP1 P46937 1/20 0.44
EPHX1 P07099 1/20 0.44
MEN1 O00255 2/20 0.44
PADI1 Q9ULC6 1/20 0.44
PADI4 Q9UM07 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL18764776 0.88 NR1H2 (0.45) PTPN2PTPN1PTPN6HPGDSTS
SCHEMBL3249205 0.84 EPHX1 (0.60) HPGDKMT2AMAPK1YAP1EPHX1
SCHEMBL3249206 0.84 EPHX1 (0.60) HPGDKMT2AMAPK1YAP1EPHX1
SCHEMBL30759724 0.84 YAP1 (0.42) PTPN2PTPN1PTPN6HPGDRECQL
SCHEMBL30759763 0.83 YAP1 (0.46) PTPN2PTPN1PTPN6HPGDRECQL
SCHEMBL6505073 0.83 HPGD (0.52) PTPN2PTPN1PTPN6HPGDRECQL
SCHEMBL15864149 0.81 YAP1 (0.46) HPGDYAP1EPHX1
SCHEMBL15864150 0.81 YAP1 (0.46) HPGDYAP1EPHX1
SCHEMBL8248535 0.80 MMP1 (0.39) KMT2AMAPK1YAP1MEN1NPC1
SCHEMBL10181463 0.80 MMP1 (0.39) KMT2AMAPK1YAP1MEN1NPC1

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-8586611-B2 Fungicidal carboxamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-11-19 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 PTPN2 468/4885PTPN1 310/4885PTPN6 1309/4885

“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.