SCHEMBL3665147

SCHEMBL3665147

[CH2]CCNS(=O)(=O)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.46
CA1 P00915 5/20 0.43
CA2 P00918 4/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PPARA Q07869 2/20 0.38
HPGD P15428 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
XBP1 P17861 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
AGTR1 P30556 1/20 0.35

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
SCHEMBL2051122 0.89 RELA (0.49) RELACA1CA2CA12CA7
SCHEMBL3668580 0.86 CA1 (0.39) RELACA1CA2CA12CA7
SCHEMBL1259576 0.85 CA1 (0.52) RELACA1CA2CA12CA7
SCHEMBL5689488 0.84 CA1 (0.52) RELACA1CA2CA12CA7
SCHEMBL608990 0.84 CA1 (0.61) RELACA1CA2CA12CA7
SCHEMBL2045863 0.83 RELA (0.56) RELACA1CA2CA12CA7
SCHEMBL1260730 0.83 CA1 (0.54) RELACA1CA2CA12CA7
SCHEMBL4813487 0.83 CA1 (0.46) RELACA1CA2CA12CA7
SCHEMBL7687552 0.82 RELA (0.62) RELACA1CA2CA12CA7
SCHEMBL3672467 0.82 CA1 (0.41) RELACA1CA2CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754010-B2 Herbicidal mixtures BASF AKTIENGESELLSCHAFT (DE) 2014-06-17 US disclosed
US-20120302441-A1 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2012-11-29 US disclosed
EP-2215909-A2 HERBICIDAL MIXTURES BASF SE (DE) 2010-08-11 EP disclosed
US-20060276341-A1 Herbicidal mixtures BASF AKTIENGESELLSCHAFT (DE) 2006-12-07 US disclosed
EP-1608222-A2 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2005-12-28 EP disclosed
WO-2004080182-A2 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 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 (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-20120302441-A1 HERBICIDAL MIXTURES RYR2, DDT, P2RX6 RELA 4863/4885CA1 1241/4885CA2 272/4885
US-20060276341-A1 Herbicidal mixtures RYR2, DDT, P2RX6 RELA 4869/4885CA1 1324/4885CA2 279/4885

“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.