SCHEMBL3772018

SCHEMBL3772018

Cc1ccc(S(=O)(=O)OCc2cc(C(C)C)on2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CA1 P00915 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
S1PR1 P21453 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
STAT3 P40763 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL26970922 0.84 LMNA (0.44) SMN1; SMN2MEN1KMT2ACA1CA9
SCHEMBL3760673 0.83 MEN1 (0.33) MEN1KMT2ACA1CA9CA12
SCHEMBL34469410 0.82 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2ASTAT3ALDH1A1
SCHEMBL27246864 0.82 EDNRB (0.39) SMN1; SMN2MEN1KMT2ACA1CA9
SCHEMBL18256030 0.79 HSP90AA1 (0.42) SMN1; SMN2MEN1KMT2AS1PR1ALDH1A1
SCHEMBL20570168 0.79 CA12 (0.33) SMN1; SMN2MEN1KMT2ACA1CA9
SCHEMBL18096454 0.77 MEN1 (0.36) SMN1; SMN2MEN1KMT2ACA1CA9
SCHEMBL16388122 0.74 MEN1 (0.48) SMN1; SMN2MEN1KMT2ACA1CA9
SCHEMBL25318427 0.73 KEAP1 (0.44) MEN1KMT2ACA1CA9CA12
SCHEMBL18977857 0.72 KMT2A (0.40) SMN1; SMN2MEN1KMT2ACA1CA9

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-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 US disclosed
US-7846956-B2 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-07 US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 US disclosed
US-20090149425-A1 Malononitrile compound as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-11 US disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 EP disclosed
EP-1704143-B1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2008-09-03 EP disclosed
EP-1704143-A1 MALONONITRILE COMPOUND AS PESTICIDES Sumitomo Chemical Company, Limited (JP) 2006-09-27 EP disclosed
WO-2005068432-A1 MALONONITRILE COMPOUND AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-07-28 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 (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-20090149425-A1 Malononitrile compound as pesticides NR0B1, RTN4, OR10J3 SMN1; SMN2 982/4885MEN1 929/4885KMT2A 3120/4885

“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.