SCHEMBL219728

SCHEMBL219728

O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.55
PSEN1 P49768 2/20 0.54
PSEN2 P49810 2/20 0.54
APH1B Q8WW43 2/20 0.54
NCSTN Q92542 2/20 0.54
APH1A Q96BI3 2/20 0.54
PSENEN Q9NZ42 2/20 0.54
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 3/20 0.47
HTT P42858 1/20 0.47
PKM P14618 1/20 0.46
MMP9 P14780 3/20 0.46
MMP13 P45452 3/20 0.46
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP3 P08254 2/20 0.46

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
SCHEMBL1463591 0.97 EEF2K (0.55) EEF2KPSEN1PSEN2APH1BNCSTN
SCHEMBL351726 0.93 EEF2K (0.58) EEF2KPSEN1PSEN2APH1BNCSTN
SCHEMBL27182591 0.84 GAA (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27183093 0.83 KMT2A (0.61) ALDH1A1CYP3A4CYP2C19NPSR1PKM
SCHEMBL16880400 0.83 PHGDH (0.51) ALDH1A1MMP3
SCHEMBL27182526 0.82 GAA (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL27182598 0.80 GAA (0.55) CYP3A4CYP2D6CYP2C19MAPTHTT
SCHEMBL23049643 0.79 ITGB1 (0.47) ALDH1A1CYP3A4CYP2D6CYP2C19NPSR1
SCHEMBL6932296 0.79 MMP13 (0.54) MMP9MMP13MMP1MMP2MMP3
SCHEMBL27182702 0.78 MMP13 (0.53) MMP9MMP13MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088797-B2 Substituted N-(4-cyano-1H-pyrazol-3-yl)methylamine derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-02-18 US 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-20100041709-A1 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT3, PRMT5, PRMT1 EEF2K 1362/4885PSEN1 2203/4885PSEN2 2423/4885

“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.