SCHEMBL14932607

SCHEMBL14932607

CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTRA2 O43464 8/20 0.54
▸ HTRA1 Q92743 8/20 0.54
▸ FOLH1 Q04609 2/20 0.53
▸ ALB P02768 2/20 0.52
▸ WDR5 P61964 1/20 0.49
▸ SLC5A2 P31639 2/20 0.45
▸ BTK Q06187 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 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
SCHEMBL14932614 0.94 HTRA2 (0.52) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL20047392 0.93 FOLH1 (0.51) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL20235710 0.93 HTRA2 (0.49) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL14932664 0.89 HTRA2 (0.58) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL19967086 0.87 FOLH1 (0.50) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL14932612 0.86 HTRA2 (0.67) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL14932598 0.83 HTRA2 (0.62) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL13833492 0.83 HTRA2 (0.38) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL21385766 0.81 HTRA2 (0.39) HTRA2HTRA1FOLH1ALBWDR5
SCHEMBL16234096 0.80 HTRA2 (0.65) HTRA2HTRA1FOLH1ALBWDR5

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572368-B2 Inhibitors of histone deacetylase THE GENERAL HOSPITAL CORPORATION (US) 2023-02-07 — — US disclosed
US-11377423-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2022-07-05 — — US disclosed
US-20210177781-A9 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER KDAc Therapeutics, Inc. 2021-06-17 — — US disclosed
EP-2877444-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2020-09-02 — — EP disclosed
US-10662199-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2020-05-26 — — US disclosed
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity THE BROAD INSTITUTE, INC. (US) 2020-04-21 — — US disclosed
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity THE BROAD INSTITUTE, INC. (US) 2020-04-21 — — US disclosed
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 — — EP disclosed
US-20190216754-A1 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER KDAC THERAPEUTICS INC (US) 2019-07-18 — — US disclosed
US-20180155760-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY BROAD INST INC (US) 2018-06-07 — — US disclosed
US-9447030-B2 Inhibitors of histone deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-20 — — US disclosed
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2016-09-01 — — US disclosed
US-9365498-B2 Inhibitors of histone deacetylase THE BROAD INSTITUTE, INC. (US) 2016-06-14 — — US disclosed
US-20150191427-A1 INHIBITORS OF HISTONE DEACETYLASE THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2015-07-09 — — US disclosed
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY THE BROAD INSTITUTE, INC. (US) 2014-11-13 — — US disclosed
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY THE BROAD INSTITUTE, INC. (US) 2014-11-13 — — US disclosed
US-20140080800-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 — — US disclosed
US-20140080802-A1 Inhibitors of Histone Deacetylase MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2014-03-20 — — US disclosed
WO-2014018979-A1 INHIBITORS OF HISTONE DEACETYLASE THE BROAD INSTITUTE, INC. (US) 2014-01-30 — — WO disclosed
WO-2013067391-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY THE BROAD INSTITUTE, INC. (US) 2013-05-10 — — 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 (12 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-20140080800-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 HTRA2 2080/4885HTRA1 558/4885FOLH1 3742/4885
US-20210177781-A9 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER HDAC3, HDAC1, HDAC7 HTRA2 3910/4885HTRA1 3017/4885FOLH1 1441/4885
US-10662199-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HTRA2 2080/4885HTRA1 558/4885FOLH1 3742/4885
US-11572368-B2 Inhibitors of histone deacetylase HDAC2, HDAC1, HDAC11 HTRA2 2080/4885HTRA1 558/4885FOLH1 3742/4885
US-20190216754-A1 COMBINATION OF A SELECTIVE HISTONE DEACETYLASE 3 (HDAC3) INHIBITOR AND AN IMMUNOTHERAPY AGENT FOR THE TREATMENT OF CANCER HDAC3, HDAC1, HDAC7 HTRA2 3910/4885HTRA1 3017/4885FOLH1 1441/4885
US-20180155760-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY KDM1A, MAN2B1, KDM3A HTRA2 3856/4885HTRA1 1400/4885FOLH1 814/4885
US-20150191427-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC3, HDAC1, HDAC5 HTRA2 3718/4885HTRA1 2398/4885FOLH1 3543/4885
US-20160251351-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 HTRA2 1825/4885HTRA1 378/4885FOLH1 3931/4885
US-11377423-B2 Inhibitors of histone deacetylase HDAC3, HDAC1, HDAC11 HTRA2 3610/4885HTRA1 2119/4885FOLH1 3741/4885
US-20140080802-A1 Inhibitors of Histone Deacetylase HDAC2, HDAC1, HDAC11 HTRA2 2080/4885HTRA1 558/4885FOLH1 3742/4885
US-10626438-B2 Fluorescent substrates for determining lysine modifying enzyme activity KDM1A, MAN2B1, KDM3A HTRA2 3856/4885HTRA1 1400/4885FOLH1 814/4885
US-20140335550-A1 FLUORESCENT SUBSTRATES FOR DETERMINING LYSINE MODIFYING ENZYME ACTIVITY MAN2B1, KDM1A, KDM3A HTRA2 3894/4885HTRA1 1291/4885FOLH1 525/4885

“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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