SCHEMBL2048673

SCHEMBL2048673

[CH2]CCCNS(=O)(=O)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
RELA Q04206 4/20 0.42
PPARA Q07869 3/20 0.38
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
EPHX1 P07099 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL2051122 0.89 RELA (0.49) CA1CA2CA12CA7CA14
SCHEMBL2045863 0.88 RELA (0.56) CA1CA2CA12CA7CA14
SCHEMBL3668580 0.86 CA1 (0.39) CA1CA2CA12CA7CA14
SCHEMBL1259576 0.85 CA1 (0.52) CA1CA2CA12CA7CA14
SCHEMBL5689484 0.84 CA1 (0.61) CA1CA2CA12CA7CA14
SCHEMBL7042054 0.84 RELA (0.55) CA1CA2CA12CA7CA14
SCHEMBL7039396 0.84 RELA (0.55) CA1CA2CA12CA7CA14
SCHEMBL7109328 0.84 RELA (0.55) CA1CA2CA12CA7CA14
SCHEMBL2048942 0.84 MEN1 (0.46) CA1CA2CA12CA7CA14
SCHEMBL4813487 0.83 CA1 (0.46) CA1CA2CA12CA7CA14

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 9 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
US-7956182-B2 Process for preparing optically active alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2011-06-07 US disclosed
EP-2215909-A2 HERBICIDAL MIXTURES BASF SE (DE) 2010-08-11 EP disclosed
US-20090062527-A1 Process for Preparing Optically Active Alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2009-03-05 US disclosed
EP-1988071-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ALCOHOL Kotobuki Pharmaceutical Co., Ltd. (JP) 2008-11-05 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

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-20120302441-A1 HERBICIDAL MIXTURES RYR2, DDT, P2RX6 CA1 1241/4885CA2 272/4885CA12 3009/4885
US-20090062527-A1 Process for Preparing Optically Active Alcohols ADH1C, ADH1A, ADH5 CA1 3881/4885CA2 2545/4885CA12 3819/4885
US-20060276341-A1 Herbicidal mixtures RYR2, DDT, P2RX6 CA1 1324/4885CA2 279/4885CA12 2995/4885

“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.