SCHEMBL6572223

SCHEMBL6572223

COc1ccc(CCCS(=O)(=O)O)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA5A P35218 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ATM Q13315 2/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.50
CYP19A1 P11511 1/20 0.50
STAT3 P40763 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL10415400 0.95 CA2 (0.52) CA2CA12CA1CA5ACA9
SCHEMBL5992338 0.90 CA5A (0.50) CA2CA12CA1CA5ACA9
SCHEMBL23967548 0.87 CA12 (0.46) CA2CA12CA1CA5ACA9
SCHEMBL2453699 0.83 POLB (0.57) CA2CA12CA1CA5ACA9
SCHEMBL8578522 0.81 MTNR1A (0.63) SMN1; SMN2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL918760 0.81 KDM4E (0.68) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL10231755 0.81 KDM4E (0.68) CA2CA12CA1CA9SMN1; SMN2
SCHEMBL10343404 0.80 ATM (0.70) CA2ATMKDM4EPOLBCYP19A1
SCHEMBL30869991 0.80 ATM (0.70) CA2ATMKDM4EPOLBCYP19A1
SCHEMBL28873428 0.79 CYP1A2 (0.41) ATMKDM4EPOLBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 CN 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
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 EP disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 US disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 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 (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 CA2 1327/4885CA12 287/4885CA1 331/4885
US-11535647-B2 Peptide purification method using sulfonate compound VIP, IAPP, RPS27A CA2 1327/4885CA12 287/4885CA1 331/4885

“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.