SCHEMBL20132033

SCHEMBL20132033

CC(C)(C)OC(=O)Nc1cccc(C#Cc2ccc(C=O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC8 Q9BY41 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ PTPN11 Q06124 2/20 0.46
▸ CYP17A1 P05093 1/20 0.41
▸ SIRT2 Q8IXJ6 2/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ KAT6A Q92794 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ PTGES O14684 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38

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
SCHEMBL29467525 0.82 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL22669530 0.82 HDAC3 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL694391 0.82 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29488493 0.82 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20132007 0.81 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20132041 0.81 HDAC3 (0.52) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL13622710 0.81 ALDH1A1 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20132386 0.81 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL30040598 0.81 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL2795102 0.80 ACACB (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220354959-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2022-11-10 — — US disclosed
EP-3901162-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF AbbVie Inc. (US) 2021-10-27 — — EP disclosed
CN-109476699-B Glucocorticoid receptor agonists and immunoconjugates thereof 艾伯维公司 2021-10-12 — — CN disclosed
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2020-10-29 — — US disclosed
US-10668167-B2 Glucocorticoid receptor agonist and immunoconjugates thereof ABBVIE INC. (US) 2020-06-02 — — US disclosed
US-20190262465-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2019-08-29 — — US disclosed
US-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF ABBVIE INC. (US) 2018-05-10 — — 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 (5 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-20180126000-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R HDAC3 1200/4885HDAC1 1688/4885HDAC2 1978/4885
US-20200338208-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R HDAC3 1200/4885HDAC1 1688/4885HDAC2 1978/4885
US-10668167-B2 Glucocorticoid receptor agonist and immunoconjugates thereof NR3C1, NR3C2, MC2R HDAC3 1200/4885HDAC1 1688/4885HDAC2 1978/4885
US-20190262465-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R HDAC3 1200/4885HDAC1 1688/4885HDAC2 1978/4885
US-20220354959-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF NR3C1, NR3C2, MC2R HDAC3 1200/4885HDAC1 1688/4885HDAC2 1978/4885

“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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