SCHEMBL3309652

SCHEMBL3309652

COC(=O)C(O)=CC(=O)c1c(F)ccc(C)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 2/20 0.32
CLCN2 P51788 2/20 0.32
P2RX7 Q99572 2/20 0.32
KAT6A Q92794 1/20 0.31
PTGS2 P35354 1/20 0.31
ADRA2A P08913 1/20 0.31
LMNA P02545 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
SCHEMBL3309646 1.00 POLB (0.35) POLBMAPTALDH1A1KDM4EGAA
SCHEMBL3310035 0.85 CLCN2 (0.33) POLBMAPTGAACLCN2P2RX7
SCHEMBL3310026 0.85 CLCN2 (0.33) POLBMAPTGAACLCN2P2RX7
SCHEMBL3310032 0.85 CLCN2 (0.33) POLBMAPTGAACLCN2P2RX7
SCHEMBL3313930 0.81 ALDH1A1 (0.36) MAPTALDH1A1KDM4EGAACLCN2
SCHEMBL3313934 0.81 ALDH1A1 (0.36) MAPTALDH1A1KDM4EGAACLCN2
SCHEMBL3310247 0.79 POLB (0.49) POLB
SCHEMBL3310251 0.79 POLB (0.49) POLB
SCHEMBL3305713 0.79 GAA (0.44) POLBMAPTGAALMNA
SCHEMBL3305720 0.79 GAA (0.44) POLBMAPTGAALMNA

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 POLB 545/4885MAPT 1964/4885ALDH1A1 620/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 POLB 545/4885MAPT 1964/4885ALDH1A1 620/4885

“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.