SCHEMBL18136169

SCHEMBL18136169

CC(C)(C)OC(=O)Nc1ccc2c(cnn2O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
CTNNB1 P35222 1/20 0.43
NAMPT P43490 1/20 0.43
MAPKAPK2 P49137 2/20 0.42
CYP17A1 P05093 2/20 0.41
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41
NOTUM Q6P988 1/20 0.41
BRD4 O60885 2/20 0.41
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
PSMB8 P28062 1/20 0.40
IDH1 O75874 1/20 0.40
MAPK14 Q16539 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL16406932 0.87 NOTUM (0.54) ACSS2CA12CA1CA9NAMPT
SCHEMBL28087712 0.85 EGFR (0.55) ACSS2CA12CA1CA9NAMPT
SCHEMBL28998317 0.82 ACSS2 (0.49) ACSS2CA12CA1CA9NAMPT
SCHEMBL28087693 0.80 EGFR (0.46) ACSS2CA12CA1CA9NAMPT
SCHEMBL15185691 0.78 ACSS2 (0.43) ACSS2MAPKAPK2CYP17A1NOTUMIDH1
SCHEMBL16406930 0.77 ACSS2 (0.46) ACSS2CYP17A1NOTUMBRD4
SCHEMBL9910663 0.77 CACNA1H (0.46) EGFRBRD4HDAC3HDAC8NCOR2
SCHEMBL29135801 0.77 RXRA (0.52) ACSS2CA12CA1CA9IDH1
SCHEMBL29447563 0.77 CACNA1H (0.46) EGFRBRD4HDAC3HDAC8NCOR2
SCHEMBL22920024 0.76 CA12 (0.48) ACSS2CA12CA1CA9NAMPT

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-9738628-B2 Substituted 1H-indazol-1-OL analogs as inhibitors of beta catenin/Tcf protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-08-22 US disclosed
US-9738628-B2 Substituted 1H-indazol-1-OL analogs as inhibitors of beta catenin/Tcf protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-08-22 US disclosed
US-20160297801-A1 SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH 2016-10-13 US disclosed
US-20160297801-A1 SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH 2016-10-13 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 (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-20160297801-A1 SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS CTNNB1, CTNNBL1, CTNNA1 ACSS2 2811/4885CA12 4725/4885CA1 3904/4885

“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.