SCHEMBL3310032

SCHEMBL3310032

Cc1ccc(F)c(C(=O)/C=C(/O)C(=O)O)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 2/20 0.33
ADRA2A P08913 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
P2RX7 Q99572 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
KAT6A Q92794 1/20 0.31

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
SCHEMBL3310026 1.00 CLCN2 (0.33) CLCN2ADRA2AGAAMAPTPOLB
SCHEMBL3310035 1.00 CLCN2 (0.33) CLCN2ADRA2AGAAMAPTPOLB
SCHEMBL3309646 0.85 POLB (0.35) CLCN2ADRA2AGAAMAPTPOLB
SCHEMBL3309652 0.85 POLB (0.35) CLCN2ADRA2AGAAMAPTPOLB
SCHEMBL3310104 0.78 CLCN2 (0.33) CLCN2ADRA2AGAAMAPTP2RX7
SCHEMBL3310105 0.78 CLCN2 (0.33) CLCN2ADRA2AGAAMAPTP2RX7
SCHEMBL3310101 0.78 CLCN2 (0.33) CLCN2ADRA2AGAAMAPTP2RX7
SCHEMBL2430970 0.78 CLCN2 (0.42) CLCN2ADRA2AGAAMAPTPOLB
SCHEMBL3307486 0.74 CES2 (0.50) TDP1
SCHEMBL714300 0.74 KMT2A (0.40) CLCN2ADRA2AGAAMAPTPOLB

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 CLCN2 4235/4885ADRA2A 4320/4885GAA 418/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 CLCN2 4235/4885ADRA2A 4320/4885GAA 418/4885

“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.