SCHEMBL25528985

SCHEMBL25528985

Cc1ccc(C(=O)O)c(=O)n1-c1ccncc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MYC P01106 15/20 0.42
NOTUM Q6P988 1/20 0.42
NR4A1 P22736 5/20 0.41
KLKB1 P03952 1/20 0.38
CTSB P07858 1/20 0.38
ELANE P08246 1/20 0.38
MMP9 P14780 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN1 P18031 1/20 0.38
DHODH Q02127 2/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL30174209 0.88 SIRT3 (0.44) MYCNOTUMDHODHTDP1
SCHEMBL1259150 0.81 NOTUM (0.61) MYCNOTUMNR4A1KLKB1CTSB
SCHEMBL1258293 0.78 GLA (0.47) MYCNOTUMNR4A1KLKB1CTSB
SCHEMBL25528987 0.77 MYC (0.47) MYCNOTUMNR4A1KLKB1CTSB
SCHEMBL15714395 0.76 MYC (0.59) MYCNR4A1PTPN1MEN1POLB
SCHEMBL30174245 0.75 MYC (0.49) MYCNOTUMNR4A1KLKB1CTSB
SCHEMBL25528988 0.75 MYC (0.49) MYCNOTUMNR4A1KLKB1CTSB
SCHEMBL15714401 0.73 MYC (0.59) MYCNR4A1PTPN1MEN1POLB
SCHEMBL29812371 0.72 MYC (0.51) MYCNOTUMNR4A1KLKB1CTSB
SCHEMBL1260359 0.72 MYC (0.51) MYCNOTUMNR4A1KLKB1CTSB

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 764/4885NOTUM 2015/4885NR4A1 4799/4885

“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.