SCHEMBL6848438

SCHEMBL6848438

CC(C)C(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
EPHX1 P07099 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MALT1 Q9UDY8 1/20 0.44
CTSS P25774 4/20 0.44
CTSK P43235 4/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA7 P43166 1/20 0.43
CAPN1 P07384 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL18100127 0.93 KMT2A (0.60) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL23551099 0.90 MEN1 (0.51) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL3341020 0.85 TDP1 (0.67) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL30387270 0.85 MEN1 (0.51) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL22928986 0.85 MEN1 (0.51) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL19198796 0.85 MEN1 (0.54) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL18100126 0.85 KMT2A (0.46) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL22151304 0.84 KMT2A (0.39) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL1022916 0.84 KMT2A (0.55) MEN1GAAKMT2ATDP1EPHX1
SCHEMBL3122792 0.83 MEN1 (0.53) MEN1GAAKMT2ATDP1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457923-B1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2016-01-27 EP disclosed
US-20150119585-A1 STEROL DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2015-04-30 US disclosed
US-8952003-B2 Sterol derivative KYOWA HAKKO KIRIN CO., LTD (JP) 2015-02-10 US disclosed
EP-2457923-A1 STEROL DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2012-05-30 EP disclosed
WO-2011010682-A1 STEROL DERIVATIVE 協和発酵キリン株式会社 (JP) 2011-01-27 WO 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

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-20150119585-A1 STEROL DERIVATIVE NR1H3, NR1H2, SREBF1 MEN1 1732/4885GAA 3137/4885KMT2A 3380/4885

“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.