SCHEMBL3245809

SCHEMBL3245809

COC(=O)c1cc(-c2cc(Br)c(O)c(Br)c2)on1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
TP53 P04637 2/20 0.67
NOTUM Q6P988 2/20 0.56
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 3/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL5621323 0.80 MAPK1 (0.78) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL5619922 0.80 MAPT (0.68) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL28393948 0.80 TP53 (1.00) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL5620616 0.77 MAPT (0.72) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL69157 0.76 MAPT (0.72) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL5621967 0.75 NOTUM (0.67) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL15498742 0.75 TP53 (0.75) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL19814196 0.74 MAPT (0.73) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL20507141 0.74 HPGD (0.75) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL27101311 0.74 NOTUM (0.64) MAPTTP53NOTUMMAPK1ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236838-B2 Compounds, compositions and methods comprising isoxazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2012-08-07 US disclosed
US-8236838-B2 Compounds, compositions and methods comprising isoxazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2012-08-07 US disclosed
US-8236838-B2 Compounds, compositions and methods comprising isoxazole derivatives INSTITUTE FOR ONEWORLD HEALTH (US) 2012-08-07 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
WO-2009131951-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING ISOXAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed
US-20090264486-A1 Compounds, Compositions and Methods Comprising Isoxazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264486-A1 Compounds, Compositions and Methods Comprising Isoxazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264486-A1 Compounds, Compositions and Methods Comprising Isoxazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 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 (3 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-20090264486-A1 Compounds, Compositions and Methods Comprising Isoxazole Derivatives CFTR, PKD2, PKD1 MAPT 4804/4885TP53 2431/4885NOTUM 3722/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 MAPT 4877/4885TP53 721/4885NOTUM 3691/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 MAPT 4877/4885TP53 721/4885NOTUM 3691/4885

“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.