SCHEMBL1722950

SCHEMBL1722950

CS(=O)(=O)OCc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
KMT2A Q03164 4/20 0.53
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL8042808 0.84 AGBL2 (0.42) L3MBTL1TDP1KMT2AGAAPKM
SCHEMBL30328484 0.84 AGBL2 (0.42) L3MBTL1TDP1KMT2AGAAPKM
SCHEMBL6490655 0.80 L3MBTL1 (0.40) L3MBTL1TDP1KMT2AGAAPKM
SCHEMBL12415416 0.79 TRPM8 (0.34) L3MBTL1TDP1KMT2AGAAPKM
SCHEMBL16728654 0.78 PLAU (0.34) L3MBTL1TDP1KMT2AGAAPKM
SCHEMBL3935059 0.77 TDP1 (0.66) L3MBTL1TDP1KMT2AGAAPOLB
SCHEMBL6501465 0.75 ALDH1A1 (0.38) L3MBTL1TDP1KMT2AGAAPKM
SCHEMBL9290492 0.75 TDP1 (0.58) L3MBTL1TDP1KMT2AGAAPOLB
SCHEMBL30861677 0.75 TDP1 (0.58) L3MBTL1TDP1KMT2AGAAPOLB
SCHEMBL30861680 0.75 TDP1 (0.58) L3MBTL1TDP1KMT2AGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344450-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2011-07-20 EP disclosed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 US disclosed
US-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CHAKRAVARTY PRASUN K 2011-07-14 US disclosed
WO-2010036589-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 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-20110172236-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D L3MBTL1 4377/4885TDP1 3914/4885KMT2A 2427/4885
US-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD L3MBTL1 790/4885TDP1 3080/4885KMT2A 561/4885

“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.