SCHEMBL14907133

SCHEMBL14907133

COc1ccc(C(=O)O)c(Br)c1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
MAPT P10636 1/20 0.54
CFD P00746 2/20 0.50
MAPK1 P28482 1/20 0.49
TSHR P16473 2/20 0.47
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 4/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
ESR1 P03372 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
HMGB1 P09429 1/20 0.45
GGT1 P19440 1/20 0.45
BLM P54132 1/20 0.45
NAPRT Q6XQN6 1/20 0.45

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
SCHEMBL2337418 0.86 MAPT (0.66) TDP1MAPTKDM4EALDH1A1HPGD
SCHEMBL6695632 0.80 CFD (0.61) TDP1MAPTCFDMAPK1TSHR
SCHEMBL21828848 0.79 MAPT (0.53) TDP1MAPTMAPK1TSHRKDM4E
SCHEMBL6648374 0.79 MAPT (0.55) TDP1MAPTMAPK1KDM4EALDH1A1
SCHEMBL27889916 0.78 CFD (0.59) TDP1MAPTCFDMAPK1TSHR
SCHEMBL20187687 0.78 MAPT (0.53) TDP1MAPTMAPK1KDM4EALDH1A1
SCHEMBL7172325 0.77 MAPK1 (0.81) TDP1MAPTCFDMAPK1TSHR
SCHEMBL9787573 0.76 MAPT (0.66) TDP1MAPTMAPK1KDM4EALDH1A1
SCHEMBL9353417 0.76 MAPT (0.61) TDP1MAPTKDM4EALDH1A1HPGD
SCHEMBL29026727 0.76 CA12 (0.55) TDP1MAPTMAPK1KDM4EALDH1A1

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-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 US disclosed
WO-2013063243-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS NEW YORK UNIVERSITY (US) 2013-05-02 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 (1 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 TDP1 1088/4885MAPT 578/4885CFD 2377/4885

“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.