SCHEMBL3313467

SCHEMBL3313467

COC(=O)C(O)=CC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.44
HSD17B2 P37059 6/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NR4A2 P43354 1/20 0.43
HDAC1 Q13547 1/20 0.43
HSD17B1 P14061 3/20 0.42
PTPN1 P18031 2/20 0.40
PTPRA P18433 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL3313462 1.00 KDM4E (0.46) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3308378 0.89 KDM4E (0.59) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3308374 0.89 KDM4E (0.59) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3314440 0.87 RAB9A (0.48) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3314437 0.87 RAB9A (0.48) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3314445 0.87 RAB9A (0.48) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3314002 0.85 ESRRG (0.49) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3314006 0.85 ESRRG (0.49) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3310498 0.84 KDM4E (0.55) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL3309429 0.84 IKBKB (0.51) KDM4ENPC1SMN1; SMN2ALDH1A1HPGD

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-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US claimed
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-06-19 US disclosed
US-8664255-B2 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-03-04 US disclosed
US-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof TEXAS A&M UNIVERSITY SYSTEM, THE 2010-05-06 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 (2 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-20100113477-A1 Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof ME3, ME1, MDH1 KDM4E 1397/4885NPC1 2680/4885SMN1; SMN2 4781/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 KDM4E 1397/4885NPC1 2680/4885SMN1; SMN2 4781/4885

“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.