SCHEMBL3306440

SCHEMBL3306440

O=C(O)C(O)=CC(=O)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
PLA2G10 O15496 1/20 0.55
PLA2G2A P14555 1/20 0.55
NFE2L2 Q16236 1/20 0.46
SRD5A2 P31213 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CALM1 P0DP23 1/20 0.43
KMT2A Q03164 2/20 0.42
TBXAS1 P24557 2/20 0.42
MEN1 O00255 1/20 0.42
GPR52 Q9Y2T5 2/20 0.41
TSHR P16473 1/20 0.41
HNF4A P41235 1/20 0.41
CASP3 P42574 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
SCHEMBL3306429 1.00 LMNA (0.55) LMNAPLA2G10PLA2G2ANFE2L2SRD5A2
SCHEMBL3306434 1.00 LMNA (0.55) LMNAPLA2G10PLA2G2ANFE2L2SRD5A2
SCHEMBL1375356 0.85 PRSS1 (0.50) LMNAPLA2G10PLA2G2ANFE2L2HDAC1
SCHEMBL1375355 0.85 PRSS1 (0.50) LMNAPLA2G10PLA2G2ANFE2L2HDAC1
SCHEMBL3305722 0.82 NFE2L2 (0.64) LMNANFE2L2HDAC1HDAC2HDAC3
SCHEMBL3305717 0.82 NFE2L2 (0.64) LMNANFE2L2HDAC1HDAC2HDAC3
SCHEMBL3305728 0.82 NFE2L2 (0.64) LMNANFE2L2HDAC1HDAC2HDAC3
SCHEMBL11034710 0.81 MAPK1 (0.68) LMNAPLA2G10PLA2G2ASRD5A2HDAC1
SCHEMBL3305708 0.80 ALDH1A1 (0.57) LMNAALDH1A1TDP1
SCHEMBL3305707 0.80 ALDH1A1 (0.57) LMNAALDH1A1TDP1

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 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 LMNA 4091/4885PLA2G10 4834/4885PLA2G2A 4793/4885
US-20140171444-A1 Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof ME3, ME1, MDH1 LMNA 4091/4885PLA2G10 4834/4885PLA2G2A 4793/4885

“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.