SCHEMBL25528995

SCHEMBL25528995

COc1cc(-n2c(C)ccc(C(=O)O)c2=O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 14/20 0.47
CTSB P07858 2/20 0.46
KLKB1 P03952 1/20 0.46
ELANE P08246 1/20 0.46
MMP9 P14780 1/20 0.46
DUSP3 P51452 1/20 0.46
NR4A1 P22736 4/20 0.45
PKM P14618 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
SORT1 Q99523 1/20 0.41
NOTUM Q6P988 1/20 0.40
PTPN1 P18031 1/20 0.40
POLB P06746 2/20 0.38
MAT2A P31153 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSPA1A P0DMV8 1/20 0.38
GAA P10253 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
SCHEMBL30061627 1.00 MYC (0.47) MYCCTSBKLKB1ELANEMMP9
SCHEMBL30174308 0.89 NNMT (0.45) MYCCTSBKLKB1ELANEMMP9
SCHEMBL25201623 0.86 MYC (0.43) MYCCTSBKLKB1ELANEMMP9
SCHEMBL30174241 0.84 MYC (0.50) MYCCTSBKLKB1ELANEMMP9
SCHEMBL25528993 0.84 MYC (0.50) MYCCTSBKLKB1ELANEMMP9
SCHEMBL25217521 0.83 MYC (0.52) MYCCTSBKLKB1ELANEMMP9
SCHEMBL25235127 0.82 MYC (0.39) MYCCTSBKLKB1ELANEMMP9
SCHEMBL25227865 0.82 MYC (0.48) MYCCTSBKLKB1ELANEMMP9
SCHEMBL25528987 0.78 MYC (0.47) MYCCTSBKLKB1ELANEMMP9
SCHEMBL25529181 0.77 KDM4E (0.40) PKMTDP1SORT1POLBKDM4E

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-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX MYC 764/4885CTSB 2140/4885KLKB1 982/4885

“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.