SCHEMBL25533356

SCHEMBL25533356

CCOC(/C=C/N(C)C)=C(/C#N)C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
ALDH1A1 P00352 7/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TSHR P16473 1/20 0.37
KDM4E B2RXH2 7/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 3/20 0.35
POLB P06746 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DNMT1 P26358 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
PSMD14 O00487 1/20 0.32

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
SCHEMBL30174225 1.00 CYP2C9 (0.45) CYP2C9ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL2593541 0.91 CYP2C9 (0.51) CYP2C9ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL15313611 0.91 CYP2C9 (0.51) CYP2C9ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL2593542 0.91 CYP2C9 (0.51) CYP2C9ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL9869703 0.91 CYP2C9 (0.51) CYP2C9ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL17091307 0.88 CYP2C9 (0.49) CYP2C9ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL17091305 0.88 CYP2C9 (0.49) CYP2C9ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL3660855 0.85 CYP2C9 (0.44) CYP2C9ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL3660857 0.85 CYP2C9 (0.44) CYP2C9ALDH1A1L3MBTL1TSHRKDM4E
SCHEMBL14279210 0.78 POLB (0.41) CYP2C9ALDH1A1L3MBTL1KDM4EMEN1

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 3 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
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 CYP2C9 4316/4885ALDH1A1 3998/4885L3MBTL1 3091/4885

“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.