SCHEMBL10144085

SCHEMBL10144085

O=S(=O)(NCCC1=CCCCC1)c1ccc2c(c1)OCCO2

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 4/20 0.58
LMNA P02545 3/20 0.58
GAA P10253 2/20 0.58
HPGD P15428 2/20 0.54
HSD17B10 Q99714 1/20 0.54
PKM P14618 3/20 0.54
TSHR P16473 4/20 0.53
PKLR P30613 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALOX15 P16050 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL12792906 0.83 KMT2A (0.61) TDP1ALDH1A1LMNAHSD17B10TSHR
SCHEMBL23052287 0.78 TDP1 (0.65) TDP1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL16221401 0.77 TDP1 (0.76) TDP1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL23051998 0.77 TDP1 (0.75) TDP1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL23045594 0.75 TDP1 (0.72) TDP1SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL1200727 0.75 ALDH1A1 (0.81) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL23052368 0.74 TDP1 (0.70) TDP1SMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL26212953 0.73 PKM (0.59) SMN1; SMN2ALDH1A1LMNAGAAHPGD
SCHEMBL23052427 0.72 TDP1 (0.67) TDP1SMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL22187771 0.72 HPGD (0.71) SMN1; SMN2ALDH1A1LMNAGAAHPGD

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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS BIOMARIN PHARMACEUTICAL INC. 2012-04-26 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-20120100609-A1 N-LINKED GLYCAN BIOSYNTHESIS MODULATORS ENGASE, GALNT1, GALNT13 TDP1 3072/4885SMN1; SMN2 4780/4885ALDH1A1 2125/4885

“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.