SCHEMBL334010

SCHEMBL334010

[CH2][C@@H]1O[C@@H]1C(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.62
CYP2C19 P33261 2/20 0.55
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
HBB P68871 1/20 0.44
CES1 P23141 3/20 0.42
CES2 O00748 2/20 0.42
TSHR P16473 2/20 0.42
DAO P14920 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AKT1 P31749 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL10942440 0.84 EPHX1 (0.69) EPHX1CYP2C19MEN1TP53CYP1A2
SCHEMBL5194624 0.83 EPHX1 (0.62) EPHX1CYP2C19MEN1TP53CYP1A2
SCHEMBL6047458 0.83 EPHX1 (0.62) EPHX1CYP2C19MEN1TP53CYP1A2
SCHEMBL10860247 0.78 EPHX1 (0.62) EPHX1CYP2C19MEN1TP53CYP1A2
SCHEMBL11218778 0.78 EPHX1 (0.62) EPHX1CYP2C19MEN1TP53CYP1A2
SCHEMBL657100 0.77 EPHX1 (1.00) EPHX1CYP2C19MEN1TP53CYP1A2
SCHEMBL3839853 0.77 EPHX1 (1.00) EPHX1CYP2C19MEN1TP53CYP1A2
SCHEMBL22754575 0.77 EPHX1 (1.00) EPHX1CYP2C19MEN1TP53CYP1A2
SCHEMBL6047362 0.77 EPHX1 (1.00) EPHX1CYP2C19MEN1TP53CYP1A2
SCHEMBL3839852 0.77 EPHX1 (1.00) EPHX1CYP2C19MEN1TP53CYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS NEOBIOTICS AB (SE) 2010-09-30 US disclosed
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 US disclosed
EP-2019819-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS Neobiotics AB (SE) 2009-02-04 EP disclosed
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections NEOBIOTICS AB (SE) 2008-10-16 US disclosed
WO-2007129952-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS NEOBIOTICS AB (SE) 2007-11-15 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 (3 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-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections VIP, ARG1, PEPD EPHX1 3889/4885CYP2C19 3747/4885MEN1 389/4885
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS VIP, NGLY1, ARG1 EPHX1 2649/4885CYP2C19 4387/4885MEN1 2827/4885
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS ARG1, C1R, ARG2 EPHX1 3324/4885CYP2C19 1507/4885MEN1 487/4885

“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.