SCHEMBL4117452

SCHEMBL4117452

O=C(O)[C@H]1CCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
TSHR P16473 1/20 0.56
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
EPHX2 P34913 1/20 0.49
THRB P10828 1/20 0.47
TBXA2R P21731 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ACHE P22303 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4117456 1.00 MEN1 (0.70) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL15488313 0.89 KMT2A (0.67) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL15488312 0.89 KMT2A (0.67) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL12481279 0.86 KMT2A (0.94) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL34474241 0.86 KMT2A (0.94) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL13775371 0.84 KMT2A (0.61) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL15334448 0.83 KMT2A (1.00) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL14163384 0.82 KMT2A (0.97) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL22042382 0.82 MEN1 (0.64) MEN1KMT2AMAPTALDH1A1CA1
SCHEMBL2821240 0.80 KMT2A (0.88) MEN1KMT2AMAPTALDH1A1CA1

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR MEN1 2041/4885KMT2A 1467/4885TSHR 1672/4885

“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.