SCHEMBL5732702

SCHEMBL5732702

Cc1ccc(S(=O)(=O)n2nc(C#N)c3c2CC(OS(=O)(=O)C(F)(F)F)=C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 4/20 0.37
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
POLB P06746 1/20 0.32
MMP2 P08253 1/20 0.32
CCR6 P51684 1/20 0.32
HSD11B1 P28845 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5528123 0.85 KMT2A (0.39) KMT2AALDH1A1MEN1LMNATDP1
SCHEMBL5535665 0.80 MEN1 (0.48) KMT2AALDH1A1MEN1LMNATDP1
SCHEMBL5523981 0.74 CTSK (0.34) ALDH1A1TDP1
SCHEMBL14597022 0.74 KMT2A (0.39) KMT2AALDH1A1MEN1LMNATDP1
SCHEMBL13935665 0.71 ALDH1A1 (0.41) KMT2AALDH1A1MEN1LMNAL3MBTL1
SCHEMBL5523923 0.70 MEN1 (0.47) KMT2AALDH1A1MEN1LMNATDP1
SCHEMBL5530256 0.68 MEN1 (0.47) KMT2AALDH1A1MEN1LMNATDP1
SCHEMBL5530279 0.64 CTSK (0.34) ALDH1A1TDP1
SCHEMBL5999032 0.64 MAPT (0.49) KMT2AALDH1A1MEN1LMNATDP1
SCHEMBL14597023 0.62 MEN1 (0.46) KMT2AALDH1A1MEN1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637555-B2 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2006-09-28 US disclosed
EP-1683794-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof Arena Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
EP-1599469-B1 TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARM INC (US) 2006-06-07 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-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 KMT2A 4044/4885ALDH1A1 681/4885MEN1 4578/4885

“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.