SCHEMBL13150830

SCHEMBL13150830

CCC(CCO)C(=O)Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 3/20 0.67
MAPT P10636 1/20 0.67
MAPK1 P28482 1/20 0.67
TSHR P16473 1/20 0.53
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA14 Q9ULX7 3/20 0.51
GAA P10253 1/20 0.49
KLK7 P49862 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL16106143 0.88 MEN1 (0.73) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4681925 0.88 MEN1 (0.86) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29269293 0.85 MEN1 (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3923314 0.85 MEN1 (0.89) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11518363 0.84 MEN1 (0.81) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11652739 0.84 MEN1 (0.86) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL16289643 0.83 MEN1 (0.79) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29269298 0.83 MEN1 (0.79) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL29269467 0.83 MEN1 (0.79) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL12335729 0.81 MEN1 (0.71) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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-7799822-B2 Phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-21 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 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-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 MEN1 2498/4885KMT2A 2855/4885SMN1; SMN2 1123/4885

“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.