SCHEMBL17078972

SCHEMBL17078972

C[C@@H]1CN(Cc2ccc(C(=O)NO)cc2)C[C@H](C)N1C(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.56
▸ HDAC1 Q13547 5/20 0.56
▸ S1PR5 Q9H228 3/20 0.50
▸ S1PR1 P21453 2/20 0.50
▸ GRK5 P34947 1/20 0.50
▸ CDK8 P49336 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.48
▸ HDAC8 Q9BY41 3/20 0.47
▸ HIF1A Q16665 5/20 0.47
▸ EPAS1 Q99814 5/20 0.47
▸ PDGFRA P16234 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ MLNR O43193 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL20421092 0.89 S1PR5 (0.55) S1PR5S1PR1GRK5CDK8SIGMAR1
SCHEMBL17078695 0.89 S1PR5 (0.50) S1PR5S1PR1GRK5CDK8SIGMAR1
SCHEMBL20432708 0.88 PTGDR2 (0.52) HDAC6HDAC1S1PR5S1PR1GRK5
SCHEMBL17078638 0.87 HDAC6 (0.74) HDAC6HDAC1S1PR5S1PR1GRK5
SCHEMBL17078964 0.87 HDAC1 (0.59) HDAC6HDAC1SIGMAR1HDAC8HDAC4
SCHEMBL17079000 0.86 HDAC1 (0.76) HDAC6HDAC1S1PR5S1PR1SIGMAR1
SCHEMBL20432797 0.86 HDAC1 (0.76) HDAC6HDAC1S1PR5S1PR1SIGMAR1
SCHEMBL17078628 0.85 HDAC1 (0.61) HDAC6HDAC1S1PR5HDAC8ALDH1A1
SCHEMBL20421030 0.84 HDAC1 (0.58) HDAC6HDAC1HDAC8HDAC4KCNH2
SCHEMBL20432854 0.84 HDAC1 (0.58) HDAC6HDAC1HDAC8HDAC4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008414-A1 PHARMACEUTICAL COMPOSITION COMPRISING HISTONE DEACETYLASE 6 INHIBITORS CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2022-01-13 — — US claimed
US-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2019-05-14 — — US claimed
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 — — EP claimed
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-06 — — US claimed
US-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2019-05-14 — — US disclosed
US-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2019-05-14 — — US disclosed
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 — — EP disclosed
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 — — EP disclosed
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-06 — — US disclosed
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-06 — — US disclosed
EP-3116859-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2017-01-18 — — EP disclosed
WO-2015137750-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-17 — — WO disclosed
WO-2015137750-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-17 — — 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 (3 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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same HDAC6, HDAC1, HDAC11 HDAC6 1/4885HDAC1 2/4885S1PR5 2852/4885
US-20220008414-A1 PHARMACEUTICAL COMPOSITION COMPRISING HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 HDAC6 1/4885HDAC1 2/4885S1PR5 1484/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 HDAC6 1/4885HDAC1 2/4885S1PR5 2361/4885

“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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