SCHEMBL25819110

SCHEMBL25819110

N#Cc1cc(/C=C/C=O)co1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPK1 P28482 1/20 0.36
XDH P47989 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33

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
SCHEMBL25819103 0.84
SCHEMBL628779 0.64 ALDH1A1 (0.54) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL1819167 0.64 ALDH1A1 (0.54) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL9766918 0.63 ALDH1A1 (0.33) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL9766916 0.63 ALDH1A1 (0.33) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL1435469 0.63 FBP1 (0.58) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL29048221 0.63 ALDH1A1 (0.36) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL1435468 0.63 FBP1 (0.58) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL18921321 0.62 RAF1 (0.53) ALDH1A1TRPA1LMNAALOX5MAPK1
SCHEMBL18345536 0.62 ALDH1A1 (0.35) ALDH1A1TRPA1LMNAALOX5MAPK1

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
CN-116547281-A Isoxazolidines as RIPK1 inhibitors and uses thereof 赛诺菲 2023-08-04 CN disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 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-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK4, RIPK2 ALDH1A1 2211/4885TRPA1 4116/4885LMNA 4497/4885

“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.