SCHEMBL18212488

SCHEMBL18212488

C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2CCCC2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
CTSK P43235 3/20 0.40
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
ELANE P08246 2/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 1/20 0.39
CTSS P25774 1/20 0.39
BTK Q06187 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
PREP P48147 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 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
SCHEMBL28654081 1.00 KMT2A (0.46) KMT2AHRH2HRH1CTSKCTSL
SCHEMBL18212483 0.94 KMT2A (0.48) KMT2AHRH2HRH1CTSKCTSL
SCHEMBL28673312 0.94 KMT2A (0.48) KMT2AHRH2HRH1CTSKCTSL
SCHEMBL18212459 0.88 KMT2A (0.45) KMT2AHRH2HRH1CTSKCTSL
SCHEMBL9101167 0.83 KMT2A (0.43) KMT2AHRH2HRH1CTSKCTSL
SCHEMBL9101170 0.83 KMT2A (0.43) KMT2AHRH2HRH1CTSKCTSL
SCHEMBL28659303 0.82 KMT2A (0.41) KMT2AHRH2HRH1CTSKCTSL
SCHEMBL18212495 0.82 KMT2A (0.41) KMT2AHRH2HRH1CTSKCTSL
SCHEMBL23845173 0.80 CTSK (0.50) KMT2AHRH2HRH1CTSKCTSL
SCHEMBL18205215 0.80 HSD11B1 (0.38) KMT2ATSHRITGB3ITGA2BPREP

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
EP-3291810-B1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2022-08-10 EP disclosed
CN-107735088-B Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2021-11-02 CN disclosed
US-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-07-04 US disclosed
WO-2016179554-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2016-11-10 WO disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 US disclosed
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2016-11-10 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 (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-20190202795-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 KMT2A 84/4885HRH2 1370/4885HRH1 1933/4885
US-20160326124-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 KMT2A 84/4885HRH2 1370/4885HRH1 1933/4885

“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.