SCHEMBL12436008

SCHEMBL12436008

CCC(=O)Nc1cc(NS(=O)(=O)c2cc(OC)c(OC)c(OC)c2)ccc1CO

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
NPSR1 Q6W5P4 1/20 0.56
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
ERBB4 Q15303 2/20 0.45
ALDH1A1 P00352 6/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
HDAC1 Q13547 1/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL12435989 0.90 SMN1; SMN2 (0.58) SMN1; SMN2NPSR1EGFRERBB2ERBB4
SCHEMBL2219490 0.90 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1EGFRERBB2ERBB4
SCHEMBL12436015 0.86 LMNA (0.62) SMN1; SMN2NPSR1ALDH1A1HTTLMNA
SCHEMBL12436017 0.83 SMN1; SMN2 (0.63) SMN1; SMN2NPSR1EGFRERBB2ERBB4
SCHEMBL12435963 0.82 MAPT (0.58) SMN1; SMN2ALDH1A1HTTLMNAMEN1
SCHEMBL12435992 0.80 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1ALDH1A1HTTLMNA
SCHEMBL2218687 0.79 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1EGFRERBB2ERBB4
SCHEMBL12435909 0.78 ATM (0.52) SMN1; SMN2ALDH1A1HTTLMNAMEN1
SCHEMBL12436010 0.76 KMT2A (0.43) SMN1; SMN2NPSR1ALDH1A1HTTMEN1
SCHEMBL12436016 0.75 LMNA (0.51) SMN1; SMN2NPSR1EGFRERBB2ERBB4

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 1 patent. 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

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 4598/4885NPSR1 4225/4885EGFR 4382/4885

“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.