SCHEMBL3314445

SCHEMBL3314445

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
NR4A2 P43354 1/20 0.47
PTPN1 P18031 2/20 0.43
PTPRA P18433 1/20 0.43
HDAC1 Q13547 1/20 0.43
ERCC5 P28715 2/20 0.43
FEN1 P39748 2/20 0.43
HSD17B2 P37059 3/20 0.42
NPC1 O15118 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL3314437 1.00 RAB9A (0.48) RAB9AMEN1KMT2APOLBNR4A2
SCHEMBL3314440 1.00 RAB9A (0.48) RAB9AMEN1KMT2APOLBNR4A2
SCHEMBL3313467 0.87 KDM4E (0.46) RAB9AMEN1KMT2APOLBNR4A2
SCHEMBL3313462 0.87 KDM4E (0.46) RAB9AMEN1KMT2APOLBNR4A2
SCHEMBL4675315 0.87 RAB9A (0.57) RAB9AMEN1KMT2APOLBPTPN1
SCHEMBL3312397 0.85 KDM4E (0.58) PTPN1HSD17B2NPC1KDM4EALDH1A1
SCHEMBL3312403 0.85 KDM4E (0.58) PTPN1HSD17B2NPC1KDM4EALDH1A1
SCHEMBL3312400 0.85 KDM4E (0.58) PTPN1HSD17B2NPC1KDM4EALDH1A1
SCHEMBL3309252 0.81 ESRRG (0.51) RAB9AMEN1KMT2APOLBHSD17B2
SCHEMBL3309246 0.81 ESRRG (0.51) RAB9AMEN1KMT2APOLBHSD17B2

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 RAB9A 3609/4885MEN1 1930/4885KMT2A 1733/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 RAB9A 3609/4885MEN1 1930/4885KMT2A 1733/4885

“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.