SCHEMBL3311258

SCHEMBL3311258

O=C(O)C(O)=CC(=O)c1c(F)cccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.46
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FEN1 P39748 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL3311255 1.00 GAA (0.46) GAAJAK2JAK1TYK2CES2
SCHEMBL3311251 1.00 GAA (0.46) GAAJAK2JAK1TYK2CES2
SCHEMBL3309360 0.88 ALDH1A1 (0.48) KMT2AALDH1A1FEN1
SCHEMBL3307478 0.88 CES2 (0.50) JAK2JAK1TYK2CES2CES1
SCHEMBL3307484 0.88 CES2 (0.50) JAK2JAK1TYK2CES2CES1
SCHEMBL3307486 0.88 CES2 (0.50) JAK2JAK1TYK2CES2CES1
SCHEMBL3309363 0.88 ALDH1A1 (0.48) KMT2AALDH1A1FEN1
SCHEMBL3309355 0.88 ALDH1A1 (0.48) KMT2AALDH1A1FEN1
SCHEMBL3305713 0.83 GAA (0.44) GAAJAK2JAK1TYK2KMT2A
SCHEMBL3305720 0.83 GAA (0.44) GAAJAK2JAK1TYK2KMT2A

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-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 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 GAA 418/4885JAK2 1250/4885JAK1 1290/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 GAA 418/4885JAK2 1250/4885JAK1 1290/4885

“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.