SCHEMBL3311002

SCHEMBL3311002

COc1ccc(C(=O)C=C(O)C(=O)O)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
ALOX12 P18054 1/20 0.53
CPS1 P31327 11/20 0.52
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CTSL P07711 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3310996 1.00 MEN1 (0.53) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3310998 1.00 MEN1 (0.53) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3310505 0.88 ALDH1A1 (0.44) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3310508 0.88 ALDH1A1 (0.44) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3310499 0.88 ALDH1A1 (0.44) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL9328578 0.81 HPGD (0.58) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3312430 0.79 CES2 (0.55) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3312433 0.79 CES2 (0.55) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL3312422 0.79 CES2 (0.55) MEN1LMNAKMT2AHPGDALDH1A1
SCHEMBL1051747 0.79 CPS1 (0.63) MEN1LMNAKMT2AHPGDALDH1A1

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 5 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
WO-2010047774-A2 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS MALATE SYNTHASE, METHODS OF MARKING AND USES THEREOF THE TEXAS A & M UNIVERSITY SYSTEM (US) 2010-04-29 WO 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 MEN1 1930/4885LMNA 4091/4885KMT2A 1733/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 MEN1 1930/4885LMNA 4091/4885KMT2A 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.