SCHEMBL12435992

SCHEMBL12435992

CCC(=O)Nc1cc(S(=O)(=O)Oc2cc(OC)c(OC)c(OC)c2)ccc1CO

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 5/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43
CYP1A1 P04798 4/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL2220169 0.89 KMT2A (0.51) SMN1; SMN2ALDH1A1NPSR1HTTCYP1A1
SCHEMBL12435989 0.83 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1NPSR1HTTMEN1
SCHEMBL12436008 0.80 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1NPSR1HTTMEN1
SCHEMBL12435910 0.78 KMT2A (0.44) SMN1; SMN2ALDH1A1NPSR1HTTMEN1
SCHEMBL6351496 0.77 KMT2A (0.48) SMN1; SMN2ALDH1A1MEN1LMNAKMT2A
SCHEMBL12435966 0.76 MAPT (0.50) SMN1; SMN2ALDH1A1NPSR1HTTMEN1
SCHEMBL12435963 0.75 MAPT (0.58) SMN1; SMN2ALDH1A1HTTMEN1LMNA
SCHEMBL12435909 0.75 ATM (0.52) SMN1; SMN2ALDH1A1HTTMEN1LMNA
SCHEMBL12436015 0.74 LMNA (0.62) SMN1; SMN2ALDH1A1NPSR1HTTMEN1
SCHEMBL12435911 0.74 KDM4E (0.45) SMN1; SMN2ALDH1A1HTTMEN1LMNA

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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 SMN1; SMN2 4598/4885ALDH1A1 2851/4885NPSR1 4225/4885

“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.