SCHEMBL13411544

SCHEMBL13411544

CNC(=S)Nc1ccc(COC(C)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 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
SCHEMBL13411545 0.84 ALDH1A1 (0.53) ALDH1A1L3MBTL1SMN1; SMN2MAPTMEN1
SCHEMBL2968894 0.82 MEN1 (0.63) ALDH1A1L3MBTL1SMN1; SMN2MAPTCYP1A2
SCHEMBL12285735 0.80 ALDH1A1 (0.60) ALDH1A1L3MBTL1HPGDSMN1; SMN2MAPT
SCHEMBL20878928 0.79 LMNA (0.54) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL21861994 0.79 ALDH1A1 (0.55) ALDH1A1L3MBTL1HPGDSMN1; SMN2MAPT
SCHEMBL15623097 0.78 MEN1 (0.55) ALDH1A1L3MBTL1SMN1; SMN2MAPTMEN1
SCHEMBL20196302 0.78 CA1 (0.51) ALDH1A1L3MBTL1HPGDSMN1; SMN2MAPT
SCHEMBL1755631 0.78 MEN1 (0.55) ALDH1A1L3MBTL1SMN1; SMN2MAPTMEN1
SCHEMBL19075835 0.78 KMT2A (0.62) ALDH1A1HPGDSMN1; SMN2MAPTGAA
SCHEMBL132773 0.77 ALDH1A1 (0.78) ALDH1A1L3MBTL1MAPTMEN1KMT2A

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-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2010-03-04 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-20100056507-A1 PHENYL DERIVATIVES AND THEIR USE AS A MEDICAMENT CNR2, CNR1, TRPV1 ALDH1A1 2439/4885L3MBTL1 4582/4885HPGD 799/4885

“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.