SCHEMBL17072452

SCHEMBL17072452

CNc1ccc(COC(=O)NCCS(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TGM2 P21980 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PRSS1 P07477 2/20 0.38
TPSAB1 Q15661 2/20 0.38

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
SCHEMBL17151094 0.85 SMN1; SMN2 (0.43) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL24835698 0.83 ALDH1A1 (0.45) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL17232558 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL17448403 0.81 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL19154486 0.81 SMN1; SMN2 (0.48) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL22154185 0.80 SMN1; SMN2 (0.54) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL18430370 0.79 L3MBTL1 (0.45) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL19154445 0.79 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL24110552 0.78 LMNA (0.43) SMN1; SMN2LMNAHTTL3MBTL1MAPT
SCHEMBL23901065 0.78 SMN1; SMN2 (0.44) SMN1; SMN2LMNAHTTL3MBTL1MAPT

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-20150250896-A1 HYDROPHILIC LINKERS AND THEIR USES FOR CONJUGATION OF DRUGS TO A CELL BINDING MOLECULES HANGZHOU DAC BIOTECH CO., LTD. (CN) 2015-09-10 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-20150250896-A1 HYDROPHILIC LINKERS AND THEIR USES FOR CONJUGATION OF DRUGS TO A CELL BINDING MOLECULES CD44, EPCAM, ABCG2 SMN1; SMN2 4201/4885LMNA 1567/4885HTT 1637/4885

“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.