SCHEMBL12435989

SCHEMBL12435989

CCC(=O)Nc1cc(S(=O)(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1CO

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HTT P42858 4/20 0.46
LMNA P02545 4/20 0.46
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HDAC1 Q13547 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
ERBB4 Q15303 1/20 0.42
THRB P10828 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL12436008 0.90 SMN1; SMN2 (0.56) SMN1; SMN2NPSR1HTTLMNAALDH1A1
SCHEMBL12436015 0.89 LMNA (0.62) SMN1; SMN2NPSR1HTTLMNAALDH1A1
SCHEMBL2218687 0.89 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1HTTLMNAALDH1A1
SCHEMBL12436017 0.87 SMN1; SMN2 (0.63) SMN1; SMN2NPSR1HTTLMNAALDH1A1
SCHEMBL12435992 0.83 SMN1; SMN2 (0.45) SMN1; SMN2NPSR1HTTLMNAALDH1A1
SCHEMBL12436012 0.81 LMNA (0.50) SMN1; SMN2NPSR1HTTLMNAALDH1A1
SCHEMBL2219490 0.80 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1HTTLMNAALDH1A1
SCHEMBL12436006 0.80 HTT (0.49) SMN1; SMN2HTTLMNAKMT2AMEN1
SCHEMBL12435909 0.79 ATM (0.52) SMN1; SMN2HTTLMNAALDH1A1KMT2A
SCHEMBL12435995 0.78 HTT (0.42) SMN1; SMN2NPSR1HTTLMNAALDH1A1

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 4598/4885NPSR1 4225/4885HTT 1248/4885

“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.