SCHEMBL23979456

SCHEMBL23979456

BC1(B)CC[C@@](B)(N2C(=O)c3ccccc3C2=O)C(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.37
▸ ALDH1A1 P00352 7/20 0.34
▸ DDB1 Q16531 3/20 0.33
▸ CRBN Q96SW2 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ IKZF3 Q9UKT9 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CASP2 P42575 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ CASP6 P55212 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
SCHEMBL23979454 1.00 CASP3 (0.37) CASP3ALDH1A1DDB1CRBNTSHR
SCHEMBL23979361 1.00 CASP3 (0.37) CASP3ALDH1A1DDB1CRBNTSHR
SCHEMBL23979387 0.86 DDB1 (0.40) ALDH1A1DDB1CRBNIKZF3LMNA
SCHEMBL23979365 0.86 DDB1 (0.40) ALDH1A1DDB1CRBNIKZF3LMNA
SCHEMBL23979895 0.86 DDB1 (0.40) ALDH1A1DDB1CRBNIKZF3LMNA
SCHEMBL23979399 0.78 CRBN (0.42) CASP3ALDH1A1DDB1CRBNTSHR
SCHEMBL23979357 0.78 CRBN (0.42) CASP3ALDH1A1DDB1CRBNTSHR
SCHEMBL23979466 0.71 TNF (0.41) DDB1CRBNIKZF3RAB9ANPC1
SCHEMBL23979354 0.71 TNF (0.41) DDB1CRBNIKZF3RAB9ANPC1
SCHEMBL23979410 0.71 TNF (0.41) DDB1CRBNIKZF3RAB9ANPC1

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
US-11773080-B2 Deuterium-enriched isoindolinonyl-azepanediones and related compounds and methods of treating medical disorders using same SALARIUS PHARMACEUTICALS, INC. (US) 2023-10-03 — — US disclosed
US-20210340125-A1 DEUTERIUM-ENRICHED ISOINDOLINONYL-AZEPANEDIONES AND RELATED COMPOUNDS AND METHODS OF TREATING MEDICAL DISORDERS USING SAME SALARIUS PHARMACEUTICALS, INC. 2021-11-04 — — 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 (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-11773080-B2 Deuterium-enriched isoindolinonyl-azepanediones and related compounds and methods of treating medical disorders using same HPGDS, HPGD, AQP3 CASP3 1039/4885ALDH1A1 1977/4885DDB1 690/4885
US-20210340125-A1 DEUTERIUM-ENRICHED ISOINDOLINONYL-AZEPANEDIONES AND RELATED COMPOUNDS AND METHODS OF TREATING MEDICAL DISORDERS USING SAME HPGDS, HPGD, AQP3 CASP3 1039/4885ALDH1A1 1977/4885DDB1 690/4885

“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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