SCHEMBL22920686

SCHEMBL22920686

N=CC(=O)OCCc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 5/20 0.46
CYP2C19 P33261 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL28643500 0.84 THRB (0.51) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL22691765 0.81 SMN1; SMN2 (0.53) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
Acrylic Acid SCHEMBL31590930 0.80 THRB (0.51) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL28860065 0.80 NPC1 (0.54) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL7271233 0.79 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL7271237 0.79 SMN1; SMN2 (0.49) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL8684761 0.78 SMN1; SMN2 (0.50) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL7658914 0.78 POLB (0.57) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL3070804 0.78 SMN1; SMN2 (0.50) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1
SCHEMBL20809605 0.75 SMN1; SMN2 (0.48) SMN1; SMN2POLBALDH1A1TSHRL3MBTL1

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-20230054928-A1 METHOD FOR PREPARING CARBONYL SULFONE SOOCHOW UNIVERSITY (CN) 2023-02-23 US disclosed
US-11072589-B2 1,2,4-triazole and preparation method therefor SOOCHOW UNIVERSITY 2021-07-27 US disclosed
US-20210024472-A1 1,2,4-TRIAZOLE AND PREPARATION METHOD THEREFOR SOOCHOW UNIVERSITY (CN) 2021-01-28 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 (3 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-11072589-B2 1,2,4-triazole and preparation method therefor CYP4F11, CYP3A4, WEE1 SMN1; SMN2 4133/4885POLB 2217/4885ALDH1A1 949/4885
US-20230054928-A1 METHOD FOR PREPARING CARBONYL SULFONE TST, CBS, STS SMN1; SMN2 2931/4885POLB 1295/4885ALDH1A1 297/4885
US-20210024472-A1 1,2,4-TRIAZOLE AND PREPARATION METHOD THEREFOR CYP4F11, CYP3A4, WEE1 SMN1; SMN2 4133/4885POLB 2217/4885ALDH1A1 949/4885

“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.