SCHEMBL22748818

SCHEMBL22748818

O=[C]OCCSSc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP2C19 P33261 3/20 0.32
RAB9A P51151 2/20 0.32
CYP3A4 P08684 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL5539632 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1SMN1; SMN2HPGDNPC1
SCHEMBL5543126 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2NPC1CYP1A2
SCHEMBL15667399 0.75 EHMT2 (0.48) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL23056401 0.74 ALDH1A1 (0.40) ALDH1A1MAPK1SMN1; SMN2MAPTHPGD
SCHEMBL5543712 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2NPC1CYP1A2
SCHEMBL5536599 0.73 HDAC1 (0.49) ALDH1A1MAPK1SMN1; SMN2NPC1CYP1A2
SCHEMBL5544648 0.73 HDAC1 (0.49) ALDH1A1MAPK1SMN1; SMN2NPC1CYP1A2
SCHEMBL12317734 0.71 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2MAPTHPGD
SCHEMBL10700265 0.71 SMN1; SMN2 (0.55) ALDH1A1MAPK1SMN1; SMN2MAPTHPGD
SCHEMBL5540726 0.68 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2MAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322804-A1 REAGENTS FOR REVERSIBLY PROTECTING BIOLOGICAL MOLECULES bioMérieux (FR) 2023-10-12 US disclosed
EP-3980057-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STXB) MONOMERS AND OLIGOMERS, AND USES THEREOF Institut Curie (FR) 2022-04-13 EP disclosed
WO-2020245321-A1 METHODS OF PRODUCING SHIGA TOXIN B-SUBUNIT (STxB) MONOMERS AND OLIGOMERS, AND USES THEREOF INSTITUT CURIE (FR) 2020-12-10 WO 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-20230322804-A1 REAGENTS FOR REVERSIBLY PROTECTING BIOLOGICAL MOLECULES AZI2, TPMT, CA12 ALDH1A1 230/4885MAPK1 4571/4885SMN1; SMN2 4180/4885

“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.