SCHEMBL12089746

SCHEMBL12089746

Cc1cc2cc(C(=O)O)ccc2n1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.55
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 4/20 0.49
POLB P06746 3/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
APEX1 P27695 1/20 0.49
HSD17B10 Q99714 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
GAA P10253 2/20 0.44
MYC P01106 3/20 0.43
HTT P42858 2/20 0.43
RXRA P19793 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
ALOX15 P16050 2/20 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
SCHEMBL4405521 0.87 HSD17B10 (0.61) NOTUMALDH1A1MEN1KMT2AMAPT
SCHEMBL12092920 0.82 NOTUM (0.42) NOTUMALDH1A1MEN1KMT2AMAPT
SCHEMBL12089747 0.82 KDM4E (0.43) NOTUMALDH1A1MEN1KMT2AMAPT
SCHEMBL12078505 0.82 ACLY (0.50) NOTUMALDH1A1MEN1KMT2AMAPT
SCHEMBL17171605 0.81 RAPGEF4 (0.46) NOTUMALDH1A1MEN1KMT2AMAPT
SCHEMBL1664109 0.80 ALDH1A1 (0.53) NOTUMALDH1A1MEN1KMT2AMAPT
SCHEMBL9267750 0.79 POLB (0.46) NOTUMMEN1KMT2AMAPTPOLB
SCHEMBL121580 0.78 HSD17B10 (0.78) MAPTPOLBHPGDHSD17B10SMN1; SMN2
SCHEMBL13666581 0.75 HSD17B10 (0.61) NOTUMPOLBHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL25431435 0.75 BCL2L1 (0.44) NOTUMALDH1A1MEN1KMT2AMAPT

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-9012637-B2 Substituted pyrazinyl acrylic acid compounds for the inhibition of pask BIOENERGENIX, LLC (US) 2015-04-21 US disclosed
US-20140235579-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX, LLC 2014-08-21 US disclosed
US-20120225846-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-09-06 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-20120225846-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 NOTUM 2400/4885ALDH1A1 3714/4885MEN1 3040/4885
US-20140235579-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 NOTUM 2400/4885ALDH1A1 3714/4885MEN1 3040/4885

“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.