SCHEMBL24928405

SCHEMBL24928405

CC(C)c1cc(C(C)C)c(S(=O)(=O)OI)c(C(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 6/20 0.58
FABP3 P05413 2/20 0.58
FABP5 Q01469 1/20 0.58
ALDH1A1 P00352 1/20 0.42
ENPP3 O14638 2/20 0.41
ENPP1 P22413 2/20 0.41
GAA P10253 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 1/20 0.36
SOAT2 O75908 1/20 0.34
MYC P01106 1/20 0.34
SOAT1 P35610 1/20 0.34
MAP2K3 P46734 1/20 0.34
NR3C1 P04150 1/20 0.34

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
SCHEMBL2946584 0.84 FABP4 (0.62) FABP4FABP3FABP5ALDH1A1ENPP3
SCHEMBL14949312 0.82 FABP4 (0.60) FABP4FABP3FABP5ALDH1A1ENPP3
SCHEMBL17131628 0.81 FABP4 (0.58) FABP4FABP3FABP5ALDH1A1ENPP3
SCHEMBL8172825 0.81 FABP4 (0.58) FABP4FABP3FABP5ALDH1A1ENPP3
SCHEMBL7807949 0.81 FABP4 (0.58) FABP4FABP3FABP5ALDH1A1ENPP3
SCHEMBL11887242 0.78 FABP4 (0.55) FABP4FABP3FABP5ALDH1A1ENPP3
SCHEMBL11888501 0.78 FABP4 (0.55) FABP4FABP3FABP5ALDH1A1ENPP3
SCHEMBL19222219 0.78 FABP4 (0.50) FABP4FABP3FABP5ALDH1A1ENPP3
SCHEMBL8989764 0.77 FABP4 (0.69) FABP4FABP3FABP5ALDH1A1ENPP3
SCHEMBL28317081 0.77 FABP4 (0.53) FABP4FABP3FABP5ALDH1A1ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230029385-A1 2-METHYL-AZA-QUINAZOLINES BAYER AG (DE) 2023-01-26 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 (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-20230029385-A1 2-METHYL-AZA-QUINAZOLINES AZI2, DNMT1, TPMT FABP4 4780/4885FABP3 4835/4885FABP5 4249/4885

“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.