SCHEMBL25819348

SCHEMBL25819348

COc1cccc(/C=C/C=O)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.43
▸ TGFBR1 P36897 2/20 0.42
▸ NFE2L2 Q16236 4/20 0.38
▸ BTK Q06187 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ APP P05067 6/20 0.36
▸ XDH P47989 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL29432664 0.81 IDH1 (0.47) IDH1TGFBR1NFE2L2BTKALDH1A1
SCHEMBL506568 0.81 IDH1 (0.47) IDH1TGFBR1NFE2L2BTKALDH1A1
SCHEMBL22578203 0.78 IDH1 (0.41) IDH1TGFBR1NFE2L2BTKAPP
SCHEMBL22578205 0.78 IDH1 (0.41) IDH1TGFBR1NFE2L2BTKAPP
SCHEMBL9000609 0.78 TGFBR1 (0.44) IDH1TGFBR1NFE2L2APPALDH1A1
SCHEMBL28873288 0.77 IDH1 (0.43) IDH1TGFBR1NFE2L2BTKAPP
SCHEMBL1225317 0.76 KDM4E (0.49) IDH1TGFBR1ALDH1A1LMNAMAPK1
SCHEMBL4584461 0.76 KDM4E (0.51) IDH1TGFBR1NFE2L2APPLMNA
SCHEMBL4584462 0.76 KDM4E (0.51) IDH1TGFBR1NFE2L2APPLMNA
SCHEMBL1225315 0.76 KDM4E (0.49) IDH1TGFBR1ALDH1A1LMNAMAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IDH1 4021/4885TGFBR1 1113/4885NFE2L2 3756/4885

“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.

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