SCHEMBL7113014

SCHEMBL7113014

O=S(=O)(c1ccncc1)C(Br)(Br)Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 4/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NFE2L2 Q16236 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
KIF11 P52732 1/20 0.33
ABCC9 O60706 2/20 0.33
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 0.33
KCNJ8 Q15842 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL14354527 0.81 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HTTKIF11
SCHEMBL20812179 0.78 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2HTTKIF11
SCHEMBL152444 0.74 HTR6 (0.52) ALDH1A1SMN1; SMN2TDP1KMT2AGAA
Benzene SCHEMBL8203386 0.74 HTR6 (0.52) ALDH1A1SMN1; SMN2TDP1KMT2AGAA
SCHEMBL1148423 0.74 LMNA (0.38) ALDH1A1LMNAMAPTPTGS1PTGS2
SCHEMBL7114609 0.73 NAPRT (0.59) ALDH1A1MAPTPTGS2NFE2L2SMN1; SMN2
SCHEMBL5403737 0.72 CA2 (0.54) ALDH1A1HTTCA1CA2
SCHEMBL14194251 0.71 KIF11 (0.53) ALDH1A1MAPTPTGS1PTGS2KIF11
SCHEMBL3945757 0.70 LMNA (0.40) ALDH1A1LMNAMAPTNFE2L2SMN1; SMN2
SCHEMBL1134359 0.70 ALDH1A1 (0.57) ALDH1A1LMNAMAPTPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189500-B2 Photothermographic image-recording material FUJI PHOTO FILM CO., LTD. (JP) 2007-03-13 US disclosed
US-7189500-B2 Photothermographic image-recording material FUJI PHOTO FILM CO., LTD. (JP) 2007-03-13 US disclosed
EP-1361214-A1 Process for preparing methylthiopyridine SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2003-11-12 EP disclosed
EP-1184375-B1 PROCESS FOR PREPARING TRIBROMOMETHYLSULFONYLPYRIDINE SUMITOMO SEIKA CHEMICALS (JP) 2003-10-29 EP disclosed
US-6509470-B2 Reacting a methylthiopyridine and a hypobromite in the presence of a base and water in a heterogeneous system to form tribromomethylsufonylpyridine SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2003-01-21 US disclosed
US-20020128484-A1 Process for preparing tribromomethylsulfonylpyridine FUJISAWA EIJI (JP) 2002-09-12 US disclosed
US-6420564-B1 REACTION OF METHYLTHIOPYRIDINE AND HYPOBROMITE IN WATER AND BASE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2002-07-16 US disclosed
EP-1184375-A1 PROCESS FOR PREPARING TRIBROMOMETHYLSULFONYLPYRIDINE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2002-03-06 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-20020128484-A1 Process for preparing tribromomethylsulfonylpyridine SKP1, TPMT, TET2 ALDH1A1 4235/4885LMNA 3792/4885MAPT 2589/4885

“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.