SCHEMBL23809264

SCHEMBL23809264

CC(C)c1cc(C(=O)O)c2cn[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 3/20 0.55
EIF4A3 P38919 4/20 0.43
DHODH Q02127 2/20 0.39
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
SGK1 O00141 1/20 0.38
ROCK2 O75116 1/20 0.38
ULK1 O75385 1/20 0.38
CDK2 P24941 1/20 0.38
GRK2 P25098 1/20 0.38
MAPK3 P27361 1/20 0.38
MAPK1 P28482 1/20 0.38
GRK3 P35626 1/20 0.38
TGFBR2 P37173 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK7 P50613 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKG2 Q13237 1/20 0.38

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
SCHEMBL16806087 0.79 IDO1 (0.53) METAP2DHODHIDO1KDM4ETDO2
SCHEMBL20884905 0.76 METAP2 (0.59) METAP2CLK2GSK3AGSK3BCDK7
SCHEMBL2595232 0.76 METAP2 (0.51) METAP2
SCHEMBL459215 0.76 TDO2 (0.54) METAP2DHODHIDO1TDO2
SCHEMBL16804164 0.75 DHPS (0.42) METAP2IDO1TDO2
SCHEMBL23338155 0.75 METAP2 (0.58) METAP2FABP3FABP4IDO1KDM4E
SCHEMBL20883605 0.73 METAP2 (0.56) METAP2EIF4A3IDO1KDM4EMEN1
SCHEMBL681814 0.73 METAP2 (0.56) METAP2EIF4A3CDK2IDO1KDM4E
SCHEMBL27973115 0.73 PRKAB2 (0.47) EIF4A3DHODHFABP3FABP4PRKAB2
SCHEMBL5446859 0.72 METAP2 (0.55) METAP2MAPK1IDO1MEN1ALDH1A1

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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 METAP2 2421/4885EIF4A3 3448/4885DHODH 3826/4885

“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.