SCHEMBL24812776

SCHEMBL24812776

CC(C)(C)OC(=O)N1Cc2cccc(/C=C/C(=O)OCc3ccccc3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ TMEM97 Q5BJF2 4/20 0.44
▸ SIGMAR1 Q99720 4/20 0.44
▸ AKR1B10 O60218 2/20 0.43
▸ AKR1B1 P15121 2/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ CA6 P23280 2/20 0.43
▸ CA5A P35218 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ CA5B Q9Y2D0 2/20 0.43
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ HCAR2 Q8TDS4 1/20 0.41
▸ GLS O94925 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL28838781 0.87 LMNA (0.51) LMNATMEM97SIGMAR1AKR1B10AKR1B1
SCHEMBL24812773 0.84 DDB1 (0.49) DDB1CRBNLIPGMAPK1NAMPT
SCHEMBL16269377 0.80 ADORA1 (0.45) LMNADDB1CRBNMAPK1NAMPT
SCHEMBL16269378 0.80 ADORA1 (0.45) LMNADDB1CRBNMAPK1NAMPT
SCHEMBL30156851 0.78 DDB1 (0.52) DDB1CRBNLIPGMAPK1NAMPT
SCHEMBL15103354 0.78 DDB1 (0.52) DDB1CRBNLIPGMAPK1NAMPT
SCHEMBL19826246 0.77 MEN1 (0.46) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL29554642 0.77 TMEM97 (0.52) TMEM97SIGMAR1BACE1LIPGMAPK1
SCHEMBL21807447 0.77 DDB1 (0.51) DDB1CRBNLIPGMAPK1NAMPT
SCHEMBL5093858 0.76 HDAC8 (0.45) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158153-A1 PI3 KINASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2023-05-25 — — US disclosed
US-20230158153-A1 PI3 KINASE INHIBITORS AND USES THEREOF PURDUE RESEARCH FOUNDATION 2023-05-25 — — US disclosed
US-20220409747-A1 FIBROBLAST ACTIVATION PROTEIN (FAP)-TARGETED IMAGING AND THERAPY OF CANCERS AND OTHER FIBROTIC AND INFLAMMATORY DISEASES PURDUE RESEARCH FOUNDATION 2022-12-29 — — US disclosed
US-20220409747-A1 FIBROBLAST ACTIVATION PROTEIN (FAP)-TARGETED IMAGING AND THERAPY OF CANCERS AND OTHER FIBROTIC AND INFLAMMATORY DISEASES PURDUE RESEARCH FOUNDATION 2022-12-29 — — US disclosed
EP-4031184-A1 FIBROBLAST ACTIVATION PROTEIN (FAP)-TARGETED IMAGING AND THERAPY OF CANCERS AND OTHER FIBROTIC AND INFLAMMATORY DISEASES Purdue Research Foundation (US) 2022-07-27 — — 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 (2 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-20230158153-A1 PI3 KINASE INHIBITORS AND USES THEREOF MMP1, PIK3CA, AKT2 LMNA 2101/4885TMEM97 1859/4885SIGMAR1 3790/4885
US-20220409747-A1 FIBROBLAST ACTIVATION PROTEIN (FAP)-TARGETED IMAGING AND THERAPY OF CANCERS AND OTHER FIBROTIC AND INFLAMMATORY DISEASES FAP, FIBP, FGFR1 LMNA 2374/4885TMEM97 4176/4885SIGMAR1 4879/4885

“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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