SCHEMBL3328541

SCHEMBL3328541

O=C(O)C=Cc1cccc(Cc2sc(C=CC(=O)O)cc2-c2nnn[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
HDAC4 P56524 4/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35

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
SCHEMBL4787713 1.00 TBXAS1 (0.40) TBXAS1KDM4EALDH1A1PKMNPSR1
SCHEMBL3328535 1.00 TBXAS1 (0.40) TBXAS1KDM4EALDH1A1PKMNPSR1
SCHEMBL3328746 0.92 TBXAS1 (0.38) TBXAS1KDM4EALDH1A1PKMHCAR2
SCHEMBL3328430 0.92 TBXAS1 (0.38) TBXAS1KDM4EALDH1A1PKMHCAR2
SCHEMBL3328425 0.92 TBXAS1 (0.38) TBXAS1KDM4EALDH1A1PKMHCAR2
SCHEMBL3327978 0.81 POLB (0.37) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3327977 0.81 POLB (0.37) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3328006 0.81 POLB (0.37) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3330014 0.77 HCAR2 (0.32) ALDH1A1NPSR1HCAR2
SCHEMBL3361968 0.76 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2KMT2AHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US claimed
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US disclosed
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 TBXAS1 1839/4885KDM4E 3392/4885ALDH1A1 2098/4885

“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.