SCHEMBL513772

SCHEMBL513772

CCCCCCN(S)CCCCCC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.55
TSHR P16473 3/20 0.50
THRB P10828 1/20 0.50
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
GBA1 P04062 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL514807 0.97 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL18698846 0.94 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL27551649 0.88 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL27361878 0.87 LMNA (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL513958 0.87 TSHR (0.40) DNM1TSHRTHRBCA12CA1
SCHEMBL28172385 0.84 TSHR (0.38) DNM1TSHRTHRBCA12CA1
SCHEMBL23394617 0.84 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL10156863 0.81
SCHEMBL28855921 0.81 DNM1 (0.55) DNM1TSHRTHRBCA12CA1
SCHEMBL15384940 0.79 DNM1 (0.60) DNM1TSHRTHRBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 DNM1 1708/4885TSHR 307/4885THRB 2094/4885

“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.