SCHEMBL22532018

SCHEMBL22532018

O=C1CCC(N2C(=O)c3cccc(OCC(=O)Oc4c(F)c(F)c(F)c(F)c4F)c3C2=O)C(=O)N1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.78
▸ DDB1 Q16531 17/20 0.78
▸ IKZF3 Q9UKT9 4/20 0.54
▸ TNF P01375 1/20 0.53
▸ IL1B P01584 1/20 0.53
▸ TBXA2R P21731 1/20 0.53
▸ IKZF1 Q13422 1/20 0.53
▸ STAT3 P40763 2/20 0.52
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ OPRM1 P35372 1/20 0.50

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
SCHEMBL29549536 1.00 CRBN (0.78) CRBNDDB1IKZF3TNFIL1B
SCHEMBL14085574 0.88 CRBN (1.00) CRBNDDB1IKZF3TNFIL1B
SCHEMBL19481530 0.86 DDB1 (0.83) CRBNDDB1IKZF3TNFIL1B
SCHEMBL17839798 0.85 DDB1 (0.81) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24746775 0.85 DDB1 (0.81) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29360230 0.85 CRBN (1.00) CRBNDDB1IKZF3TNFIL1B
SCHEMBL14085581 0.85 CRBN (1.00) CRBNDDB1IKZF3TNFIL1B
SCHEMBL14085580 0.84 DDB1 (0.75) CRBNDDB1IKZF3TNFIL1B
SCHEMBL18379320 0.84 CRBN (0.83) CRBNDDB1IKZF3TNFIL1B
SCHEMBL17884453 0.84 CRBN (0.83) CRBNDDB1IKZF3TNFIL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177466-A1 DEGRADERS OF KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 (KEAP1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-09 — — US disclosed
US-20220177466-A1 DEGRADERS OF KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 (KEAP1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-09 — — US disclosed
EP-3953337-A1 DEGRADERS OF KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 (KEAP1) Dana-Farber Cancer Institute, Inc. (US) 2022-02-16 — — EP disclosed
US-11066391-B1 Atorvastatin derived HMG-CoA reductase degradation inducing compound UPPTHERA (KR) 2021-07-20 — — US disclosed
US-11066391-B1 Atorvastatin derived HMG-CoA reductase degradation inducing compound UPPTHERA (KR) 2021-07-20 — — US disclosed
WO-2020210229-A1 DEGRADERS OF KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 (KEAP1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-15 — — WO 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-20220177466-A1 DEGRADERS OF KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 (KEAP1) KEAP1, NFE2L2, GSTK1 CRBN 250/4885DDB1 106/4885IKZF3 595/4885
US-11066391-B1 Atorvastatin derived HMG-CoA reductase degradation inducing compound HMGCR, LDLR, HMGB2 CRBN 1054/4885DDB1 441/4885IKZF3 3001/4885

“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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