SCHEMBL5619922

SCHEMBL5619922

COC(=O)c1cc(-c2ccc(F)c(Br)c2)on1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.68
TP53 P04637 3/20 0.68
NOTUM Q6P988 2/20 0.61
MAPK1 P28482 1/20 0.61
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL17731963 0.85 NOTUM (0.63) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL5621323 0.84 MAPK1 (0.78) MAPTTP53NOTUMMAPK1HDAC3
SCHEMBL28393948 0.81 TP53 (1.00) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL19814196 0.81 MAPT (0.73) MAPTTP53NOTUMMAPK1HDAC6
SCHEMBL3245809 0.80 MAPT (0.67) MAPTTP53NOTUMMAPK1HDAC3
SCHEMBL18091774 0.78 TP53 (0.60) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL5620616 0.78 MAPT (0.72) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL5621967 0.77 NOTUM (0.67) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL15498742 0.77 TP53 (0.75) MAPTTP53NOTUMMAPK1ALDH1A1
SCHEMBL18003867 0.76 MAOA (0.51) MAPTTP53HDAC3HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169797-B2 Protein-tyrosine phosphatase inhibitors and uses thereof ABBOTT LABORATORIES (US) 2007-01-30 US disclosed
US-20040214870-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; 5-(3-((1E)-3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid ABBVIE INC. 2004-10-28 US disclosed
US-20040167188-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; ABBOTT LABORATORIES 2004-08-26 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-20040167188-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; G6PC1, PPP1R1B, PPP1R7 MAPT 4720/4885TP53 3557/4885NOTUM 2476/4885
US-20040214870-A1 Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; 5-(3-((1E)-3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid G6PC1, PPP1R7, PPP1R1B MAPT 4723/4885TP53 4168/4885NOTUM 3860/4885

“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.