SCHEMBL12448296

SCHEMBL12448296

CC(=O)CC(C)C(=O)NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
EPHX1 P07099 1/20 0.31
DPP4 P27487 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL23901238 0.82 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL23084908 0.82 TSHR (0.37) ALDH1A1TDP1CA12CA1CA2
SCHEMBL9911498 0.81 MME (0.38) ALDH1A1TDP1CA12CA1CA2
SCHEMBL19194706 0.81 MME (0.38) ALDH1A1TDP1CA12CA1CA2
SCHEMBL14355660 0.81 MME (0.38) ALDH1A1TDP1CA12CA1CA2
SCHEMBL17953988 0.79 ALDH1A1 (0.39) ALDH1A1TDP1MEN1KMT2ACYP3A4
SCHEMBL13058954 0.78 ALDH1A1 (0.48) ALDH1A1TDP1MMP1MMP2MMP9
SCHEMBL24899933 0.77 ALDH1A1 (0.38) ALDH1A1TDP1
SCHEMBL24096254 0.76 ALDH1A1 (0.46) ALDH1A1TDP1CA1CA2GAA
SCHEMBL10031629 0.75 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2MMP1

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-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS DICE ALPHA, INC. 2023-05-11 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 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-20230145481-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R ALDH1A1 372/4885TDP1 4466/4885CA12 4484/4885
US-20230141212-A1 SUBSTITUTED BENZENECARBOXAMIDES AS IL-17A MODULATORS IL17A, IL2, IL23R ALDH1A1 372/4885TDP1 4466/4885CA12 4484/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB ALDH1A1 4626/4885TDP1 60/4885CA12 4882/4885

“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.