SCHEMBL30439749

SCHEMBL30439749

CC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.49
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
PTGER4 P35408 2/20 0.46
ELANE P08246 1/20 0.44
CALCRL Q16602 1/20 0.44
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
CTSC P53634 1/20 0.42

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
SCHEMBL28416904 1.00 FOLH1 (0.49) FOLH1CPB1CPB2PTGER4ELANE
SCHEMBL28416898 1.00 FOLH1 (0.49) FOLH1CPB1CPB2PTGER4ELANE
SCHEMBL22127992 0.94 CA2 (0.46) FOLH1CPB1CPB2PTGER4ELANE
SCHEMBL22127827 0.94 CA2 (0.46) FOLH1CPB1CPB2PTGER4ELANE
SCHEMBL22127991 0.94 CA2 (0.46) FOLH1CPB1CPB2PTGER4ELANE
SCHEMBL22127833 0.94 CA2 (0.46) FOLH1CPB1CPB2PTGER4ELANE
SCHEMBL30440174 0.94 CA2 (0.46) FOLH1CPB1CPB2PTGER4ELANE
SCHEMBL22127830 0.94 CA2 (0.46) FOLH1CPB1CPB2PTGER4ELANE
SCHEMBL22127969 0.90 FOLH1 (0.56) FOLH1CPB1CPB2PTGER4HTR2C
SCHEMBL22127970 0.90 FOLH1 (0.56) FOLH1CPB1CPB2PTGER4HTR2C

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 1 patent. 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

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 FOLH1 1463/4885CPB1 4443/4885CPB2 4178/4885

“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.