SCHEMBL5689488

SCHEMBL5689488

CCCCS(=O)(=O)NCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.52
PPARA Q07869 3/20 0.52
RELA Q04206 4/20 0.50
CA2 P00918 4/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
AGTR1 P30556 1/20 0.39

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
SCHEMBL4998398 0.93 RELA (0.58) CA1PPARARELACA2CA12
SCHEMBL11515763 0.92 CA1 (0.55) CA1PPARARELACA2CA12
SCHEMBL14081786 0.91 RELA (0.61) CA1PPARARELACA2CA12
SCHEMBL7689617 0.91 RELA (0.61) CA1PPARARELACA2CA12
SCHEMBL608990 0.90 CA1 (0.61) CA1PPARARELACA2CA12
SCHEMBL7687552 0.88 RELA (0.62) CA1PPARARELACA2CA12
SCHEMBL7688965 0.86 RELA (0.66) CA1PPARARELACA2CA12
SCHEMBL1446467 0.86 RELA (0.47) CA1PPARARELACA2CA12
SCHEMBL10596044 0.86 RELA (0.66) CA1PPARARELACA2CA12
SCHEMBL10924903 0.86 RELA (0.66) CA1PPARARELACA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103582642-A HSP90 inhibitors SLOAN KETTERING INST CANCER 2014-02-12 CN claimed
CN-119968127-A Animal food compositions with improved palatability and customizable properties and methods of making the same 玛氏公司 2025-05-09 CN disclosed
EP-3892278-B1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2024-02-28 EP disclosed
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-03-09 US disclosed
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-02-02 US disclosed
CN-109374889-B Use of labeled HSP90 inhibitors 索隆-基特林癌症研究协会 2022-04-19 CN disclosed
US-11236106-B2 Cycloalkane-1,3-diamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-02-01 US disclosed
EP-3892278-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2021-10-13 EP disclosed
CN-103582642-A HSP90 inhibitors SLOAN KETTERING INST CANCER 2014-02-12 CN disclosed
CN-100455565-C Sulfonamide anions as catalysts for nco oligomerization BAYER MATERIALSCIENCE AG (DE) 2009-01-28 CN disclosed
EP-1654324-B1 SULPHONAMIDE ANIONS AS CATALYSTS FOR NCO OLIGOMERISATION BAYER MATERIALSCIENCE AG (DE) 2006-12-27 EP disclosed
CN-1833003-A Sulfonamide anions as catalysts for nco oligomerization BAYER MATERIALSCIENCE AG (DE) 2006-09-13 CN disclosed
US-7060817-B2 Sulfonamide anions as catalysts for NCO oligomerization BAYER MATERIALSCIENCE AG (DE) 2006-06-13 US disclosed
EP-1654324-A1 SULPHONAMIDE ANIONS AS CATALYSTS FOR NCO OLIGOMERISATION Bayer MaterialScience AG (DE) 2006-05-10 EP disclosed
WO-2005017037-A1 SULPHONAMIDE ANIONS AS CATALYSTS FOR NCO OLIGOMERISATION BAYER MATERIALSCIENCE AG (DE) 2005-02-24 WO disclosed
US-20050033005-A1 Sulfonamide anions as catalysts for NCO oligomerization BAYER MATERIALSCIENCE AG (DE) 2005-02-10 US disclosed
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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-11236106-B2 Cycloalkane-1,3-diamine derivative MLLT1, MEN1, MLLT3 CA1 3083/4885PPARA 2779/4885RELA 1292/4885
US-20230030720-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 CA1 3083/4885PPARA 2779/4885RELA 1292/4885
US-20230074669-A1 CYCLOALKANE-1,3-DIAMINE DERIVATIVE MLLT1, MEN1, MLLT3 CA1 3083/4885PPARA 2779/4885RELA 1292/4885

“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.