SCHEMBL29957433

SCHEMBL29957433

CON(C)C(=O)c1cccc(B(O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MLYCD O95822 1/20 0.41
NLRP3 Q96P20 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TTR P02766 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B2 P37059 1/20 0.38
MGLL Q99685 1/20 0.37
GPR183 P32249 1/20 0.36
ERN1 O75460 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
SCHEMBL224885 1.00 ENPP2 (0.46) ENPP2MEN1KMT2AMLYCDNLRP3
SCHEMBL15281239 0.84 KMT2A (0.50) MEN1KMT2AMLYCDTRPM8LMNA
SCHEMBL29902315 0.83 ERN1 (0.48) ENPP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL177412 0.83 ERN1 (0.48) ENPP2MEN1KMT2AKDM4EALDH1A1
SCHEMBL29729945 0.80 CES2 (0.53) MEN1KMT2AMLYCDKDM4EALDH1A1
SCHEMBL305837 0.80 CES2 (0.53) MEN1KMT2AMLYCDKDM4EALDH1A1
SCHEMBL130927 0.80 MLYCD (0.53) ENPP2MLYCDKDM4EALDH1A1HPGD
SCHEMBL16214051 0.80 MEN1 (0.46) MEN1KMT2AMLYCDALDH1A1HPGD
SCHEMBL32424912 0.78 HPGD (0.57) MEN1KMT2AMLYCDHPGDHSD17B2
SCHEMBL2652369 0.78 HPGD (0.57) MEN1KMT2AMLYCDHPGDHSD17B2

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-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US 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-20230144767-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 ENPP2 2178/4885MEN1 3895/4885KMT2A 3194/4885

“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.