SCHEMBL25529253

SCHEMBL25529253

Cc1csc(-c2cn3c(c(C(=O)O)c2=O)COCC3)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
DAO P14920 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30
PIK3CD O00329 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL30174179 0.90 HDAC1 (0.33) GRIN2BKDM4EMEN1ALDH1A1KMT2A
SCHEMBL25529251 0.81 PTGS2 (0.44) KDM4EMEN1ALDH1A1KMT2ARECQL
SCHEMBL25529256 0.80 ALOX5 (0.44) KDM4EMEN1ALDH1A1KMT2APIK3CD
SCHEMBL25529262 0.78 GRIN2B (0.33) GRIN2BKDM4EMEN1ALDH1A1KMT2A
SCHEMBL25529254 0.75 RIPK1 (0.38) MEN1KMT2AATRATRIPPIK3CD
SCHEMBL25229526 0.74 ALOX5 (0.42) KDM4EALDH1A1POLBPIK3CAPIK3CB
SCHEMBL26967947 0.74 HDAC3 (0.32) HDAC3HDAC1HDAC2
SCHEMBL27218044 0.73 PSMB5 (0.32) KMT2A
SCHEMBL25529250 0.71 RIPK1 (0.36) ALDH1A1PIK3CAPIK3CBPIK3CG
SCHEMBL26967898 0.71 SCN9A (0.32) ATRATRIP

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 4 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
CN-115605478-A Compounds and methods of use 埃克塞里艾克西斯公司(US) 2023-01-13 CN disclosed
EP-4110779-A1 COMPOUNDS AND METHODS OF USE Exelixis, Inc. (US) 2023-01-04 EP 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 GRIN2B 1267/4885KDM4E 3309/4885MEN1 3817/4885

“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.