SCHEMBL9354518

SCHEMBL9354518

CNCCCCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4A O75164 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CTSK P43235 2/20 0.36
LMNA P02545 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
METAP2 P50579 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
BCHE P06276 1/20 0.33
CHRM2 P08172 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL7672284 1.00 CA14 (0.43) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL14735407 1.00 CA14 (0.43) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL9354393 0.98 CA14 (0.44) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL380584 0.93 CA14 (0.45) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL23728793 0.87 CA14 (0.41) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL381086 0.86 CA14 (0.41) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL464478 0.86 CA14 (0.39) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL21996734 0.86 CA14 (0.40) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL25352467 0.85 CA14 (0.48) CA14TDP1HDAC1HDAC2HDAC6
SCHEMBL10646993 0.84 KDM4A (0.40) CA14HDAC1HDAC2HDAC6KDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284283-B2 Macrocyclic compounds for modulating IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2016-03-15 US disclosed
EP-2809660-B1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORP (US) 2016-01-20 EP disclosed
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 US disclosed
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 US disclosed
WO-2013116682-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION (US) 2013-08-08 WO disclosed
CN-1026892-C New amino acid derivatives, process for preparation thereof and pharmaceutical composition comprising same FUJISAWA PHARMACEUTICAL CO (JP) 1994-12-07 CN disclosed
EP-0300189-B1 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-02 EP disclosed
US-5223489-A Treatment of ypertension and heart failure UJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-29 US disclosed
US-5142048-A Enzyme inhibitor; carbamoyl group-containing acids FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-25 US disclosed
US-4921855-A New Histidyl amino acid derivatives, and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-01 US disclosed
EP-0300189-A2 New amino acid derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-01-25 EP disclosed
CN-1030411-A New amino acid derivatives, its preparation method and contain its pharmaceutical composition FUJISAWA PHARMACEUTICAL CO (JP) 1989-01-18 CN 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 (1 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-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 IL17A, IL15, IL2 CA14 4048/4885TDP1 4706/4885HDAC1 218/4885

“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.