SCHEMBL2581293

SCHEMBL2581293

COC(=O)[C@H](CO)NC(=O)C1CCN(C(=O)Cc2cc(C)ccc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MDM2 Q00987 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ATM Q13315 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
YAP1 P46937 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
PADI1 Q9ULC6 1/20 0.36
PADI4 Q9UM07 1/20 0.36
CCKBR P32239 1/20 0.36

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
SCHEMBL2581296 1.00 ALDH1A1 (0.46) ALDH1A1MDM2MEN1KMT2AKDM4E
SCHEMBL2586245 0.81 ALDH1A1 (0.69) ALDH1A1MDM2MEN1KMT2AKDM4E
SCHEMBL2581188 0.77 ALDH1A1 (0.63) ALDH1A1MDM2MEN1KMT2AKDM4E
SCHEMBL2581184 0.77 L3MBTL1 (0.56) ALDH1A1MDM2MEN1KMT2AKDM4E
SCHEMBL3683326 0.74 ALDH1A1 (0.46) ALDH1A1MDM2MEN1KMT2AKDM4E
SCHEMBL3686275 0.70 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL2585461 0.70 PTPN2 (0.49) MEN1KMT2AYAP1MAPK1PADI1
SCHEMBL16434616 0.70 CHRM3 (0.42) MEN1KMT2ASMN1; SMN2YAP1
SCHEMBL12687855 0.70 MEN1 (0.40) MEN1KMT2ASMN1; SMN2YAP1TP53
SCHEMBL12505895 0.69 MEN1 (0.38) MEN1KMT2ASMN1; SMN2YAP1TP53

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 ALDH1A1 649/4885MDM2 3578/4885MEN1 773/4885

“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.