SCHEMBL21914136

SCHEMBL21914136

O=S(=O)(O)CCCc1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.62
MPO P05164 5/20 0.49
SLC6A4 P31645 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
HSPA5 P11021 1/20 0.45
CA12 O43570 4/20 0.44
CA2 P00918 4/20 0.44
CA9 Q16790 4/20 0.44
AKR1B1 P15121 1/20 0.44
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
HTR1A P08908 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL29194866 0.94 MGLL (0.70) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL10881485 0.93 MGLL (0.73) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL10976350 0.88 MGLL (0.56) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL25437680 0.85 MGLL (0.62) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL9647433 0.82 MGLL (0.59) MGLLTSHRKDM4EHSD17B10
Sulfuric Acid SCHEMBL5433107 0.79 MGLL (0.56) MGLLMPOSLC6A4TAAR1TSHR
SCHEMBL7996177 0.79 MGLL (0.75) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL11285123 0.79 MGLL (0.40) MGLLCA12CA2CA9CYP2D6
SCHEMBL4967651 0.79 TAAR1 (0.65) MGLLMPOSLC6A4TAAR1HSPA5
SCHEMBL3800530 0.79 TAAR1 (0.65) MGLLMPOSLC6A4TAAR1HSPA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107580615-A Store stable impregnating resin and electrical insulation tape 西门子公司 2018-01-12 CN claimed
US-11535647-B2 Peptide purification method using sulfonate compound NAGASE & CO., LTD. (JP) 2022-12-27 US disclosed
US-20220144888-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND NAGASE & CO., LTD. (JP) 2022-05-12 US disclosed
EP-3851446-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND Nagase & Co., Ltd. (JP) 2021-07-21 EP disclosed
WO-2020054287-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND 長瀬産業株式会社 2020-03-19 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 (2 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-20220144888-A1 PEPTIDE PURIFICATION METHOD USING SULFONATE COMPOUND VIP, IAPP, RPS27A MGLL 2420/4885MPO 3200/4885SLC6A4 2177/4885
US-11535647-B2 Peptide purification method using sulfonate compound VIP, IAPP, RPS27A MGLL 2420/4885MPO 3200/4885SLC6A4 2177/4885

“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.