SCHEMBL1417568

SCHEMBL1417568

O=S(=O)(CCc1cccs1)CCc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4060908 0.83 TAAR1 (0.50) TAAR1SMN1; SMN2ALDH1A1HPGDADRA2A
SCHEMBL2880966 0.83 TAAR1 (0.50) TAAR1SMN1; SMN2ALDH1A1HPGDADRA2A
SCHEMBL4067422 0.83 TAAR1 (0.55) TAAR1SMN1; SMN2ALDH1A1HPGDADRA2A
SCHEMBL7697997 0.82 TAAR1 (0.48) TAAR1SMN1; SMN2ALDH1A1HPGDADRA2A
SCHEMBL7697993 0.82 TAAR1 (0.48) TAAR1SMN1; SMN2ALDH1A1HPGDADRA2A
SCHEMBL4060879 0.82 TAAR1 (0.53) TAAR1SMN1; SMN2ALDH1A1HPGDADRA2A
SCHEMBL2030841 0.78 TAAR1 (0.71) TAAR1SMN1; SMN2ALDH1A1HPGDADRA2A
SCHEMBL27552713 0.77 TAAR1 (0.46) TAAR1SMN1; SMN2ALDH1A1HPGDADRA2A
SCHEMBL17850536 0.76 TAAR1 (0.52) TAAR1SMN1; SMN2ALDH1A1HPGDADRA2A
SCHEMBL2886265 0.76 TAAR1 (0.52) TAAR1SMN1; SMN2ALDH1A1HPGDADRA2A

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-20110087028-A1 METHOD FOR PREPARING CLOPIDOGREL AND ITS DERIVATIVES ENZYTECH LTD. (KR) 2011-04-14 US disclosed
EP-2298777-A2 METHOD FOR PREPARING CLOPIDOGREL AND ITS DERIVATIVES Enzytech, Ltd. (KR) 2011-03-23 EP 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-20110087028-A1 METHOD FOR PREPARING CLOPIDOGREL AND ITS DERIVATIVES PTGIS, PLA2G7, PTGIR TAAR1 3242/4885SMN1; SMN2 3810/4885ALDH1A1 602/4885

“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.