SCHEMBL25546010

SCHEMBL25546010

CC(C)COc1cc(-c2nc(Cl)sc2CC(C)(C)C)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GRM2 Q14416 3/20 0.33
SRC P12931 1/20 0.32
ABCC4 O15439 1/20 0.31
ABCB11 O95342 1/20 0.31
PGR P06401 1/20 0.31
CHRM1 P11229 1/20 0.31
PDE4A P27815 1/20 0.31
BLVRB P30043 1/20 0.31
TARBP2 Q15633 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
DHODH Q02127 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL25556527 0.90 GRM2 (0.39) XDHGAAALDH1A1GRM2SRC
SCHEMBL25546218 0.89 GRM2 (0.43) XDHGAAALDH1A1GRM2SRC
SCHEMBL25556523 0.89 XDH (0.34) XDHGAAALDH1A1GRM2SRC
SCHEMBL25180286 0.87 GRM2 (0.41) GAAALDH1A1GRM2MGAMSI
SCHEMBL25546067 0.84 RIPK2 (0.41) ALDH1A1GRM2
SCHEMBL25546014 0.84 ALDH1A1 (0.40) GAAALDH1A1GRM2MGAMSI
SCHEMBL25556325 0.83 LMNA (0.32) GRM2FBP1
SCHEMBL25546030 0.78 FBP1 (0.42) ALDH1A1GRM2FBP1
SCHEMBL25179836 0.77 BRAF (0.43) SRCPDE4AFBP1
SCHEMBL25556352 0.77 MEN1 (0.43) GAAALDH1A1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150997-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-05-18 US disclosed
US-20230150997-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2023-05-18 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-20230150997-A1 EIF4E INHIBITORS AND USES THEREOF EIF4E, EIF4EBP1, EIF4A1 XDH 4361/4885GAA 2552/4885ALDH1A1 4776/4885

“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.