SCHEMBL18551111

SCHEMBL18551111

C[C@H](NC(=O)OC(C)(C)C)c1ccc(OCCCOCCCOCC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ CTSK P43235 2/20 0.44
▸ ACACB O00763 10/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ ACACA Q13085 5/20 0.43
▸ LMNA P02545 1/20 0.42
▸ HRH2 P25021 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ TSHR P16473 1/20 0.40

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
SCHEMBL18551103 1.00 ITGB3 (0.46) ITGB3ITGA2BCTSKACACBHPGD
SCHEMBL30490965 0.89 ACACB (0.43) ITGB3ITGA2BCTSKACACBHPGD
SCHEMBL18611917 0.87 ACACB (0.48) CTSKACACBHPGDACACALMNA
SCHEMBL27225866 0.87 ALDH1A1 (0.54) CTSKACACBALDH1A1TSHR
SCHEMBL18551107 0.86 ACACB (0.43) ITGB3ITGA2BCTSKACACBHPGD
SCHEMBL18611921 0.84 ACACB (0.42) CTSKACACB
SCHEMBL24675649 0.82 ACACB (0.43) ITGB3ITGA2BCTSKACACBHPGD
SCHEMBL24675884 0.82 ACACB (0.43) ITGB3ITGA2BCTSKACACBHPGD
SCHEMBL24675533 0.82 ACACB (0.43) ITGB3ITGA2BCTSKACACBHPGD
SCHEMBL24675847 0.82 ACACB (0.48) ITGB3ITGA2BCTSKACACBHPGD

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-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2023-08-24 — — US disclosed
US-20210187108-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2021-06-24 — — US disclosed
US-10772962-B2 Compounds and methods for the targeted degradation of bromodomain-containing proteins ARVINAS OPERATIONS, INC. (US) 2020-09-15 — — US disclosed
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS ARVINAS OPERATIONS, INC. 2017-03-09 — — US disclosed
WO-2017030814-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS Arvinas, Inc. (US) 2017-02-23 — — 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 (4 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-10772962-B2 Compounds and methods for the targeted degradation of bromodomain-containing proteins BRPF3, STUB1, BRDT ITGB3 4345/4885ITGA2B 4592/4885CTSK 1766/4885
US-20210187108-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT ITGB3 4345/4885ITGA2B 4592/4885CTSK 1766/4885
US-20230263893-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT ITGB3 4345/4885ITGA2B 4592/4885CTSK 1766/4885
US-20170065719-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS BRPF3, STUB1, BRDT ITGB3 4345/4885ITGA2B 4592/4885CTSK 1766/4885

“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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