SCHEMBL5689484

SCHEMBL5689484

CCCCNS(=O)(=O)CCC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.61
CA2 P00918 4/20 0.61
CA12 O43570 2/20 0.61
CA14 Q9ULX7 2/20 0.61
CA7 P43166 1/20 0.61
RELA Q04206 4/20 0.50
PPARA Q07869 4/20 0.46
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 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
SCHEMBL1753871 0.93 RELA (0.58) CA1CA2CA12CA14CA7
SCHEMBL7688181 0.91 RELA (0.61) CA1CA2CA12CA14CA7
SCHEMBL28469962 0.91 RELA (0.61) CA1CA2CA12CA14CA7
SCHEMBL7042054 0.90 RELA (0.55) CA1CA2CA12CA14CA7
SCHEMBL7039396 0.90 RELA (0.55) CA1CA2CA12CA14CA7
SCHEMBL608990 0.90 CA1 (0.61) CA1CA2CA12CA14CA7
SCHEMBL7109328 0.90 RELA (0.55) CA1CA2CA12CA14CA7
SCHEMBL11754427 0.89 RELA (0.59) CA1CA2CA12CA14CA7
SCHEMBL7687766 0.86 RELA (0.66) CA1CA2CA12CA14CA7
SCHEMBL8679104 0.84 CA1 (0.67) CA1CA2CA12CA14CA7

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-2694505-B1 HSP90 INHIBITORS SLOAN KETTERING INST CANCER RES (US) 2022-04-27 EP disclosed
US-20210299257-A1 Methods, Systems and Apparatus for Reducing Pathogen Loads in Circulating Body Fluids Mi2 Holdings LLC (US) 2021-09-30 US disclosed
US-20160264577-A1 HSP90 INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2016-09-15 US disclosed
US-9346808-B2 Hsp90 inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2016-05-24 US disclosed
EP-1654324-B1 SULPHONAMIDE ANIONS AS CATALYSTS FOR NCO OLIGOMERISATION BAYER MATERIALSCIENCE AG (DE) 2006-12-27 EP 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 (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-20160264577-A1 HSP90 INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P CA1 1994/4885CA2 1812/4885CA12 2719/4885
US-20210299257-A1 Methods, Systems and Apparatus for Reducing Pathogen Loads in Circulating Body Fluids CD47, CASP10, ROS1 CA1 1414/4885CA2 1427/4885CA12 833/4885

“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.