SCHEMBL2636265

SCHEMBL2636265

CCC(COS(C)(=O)=O)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.60
CTRB1 P17538 2/20 0.53
CTSK P43235 4/20 0.47
CTSL P07711 3/20 0.47
CTSS P25774 3/20 0.47
CTSB P07858 2/20 0.47
ELANE P08246 1/20 0.47
CYP1A2 P05177 1/20 0.47
ATM Q13315 1/20 0.47
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CASP3 P42574 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL12208730 0.90 SYK (0.52) SYKCTRB1CTSKCTSLCTSS
SCHEMBL19050929 0.90 SYK (0.52) SYKCTRB1CTSKCTSLCTSS
SCHEMBL20640409 0.90 SYK (0.52) SYKCTRB1CTSKCTSLCTSS
SCHEMBL7342332 0.90 CTRB1 (0.64) SYKCTRB1CTSKCTSLCTSS
SCHEMBL7367948 0.90 CTRB1 (0.64) SYKCTRB1CTSKCTSLCTSS
SCHEMBL7367945 0.90 CTRB1 (0.64) SYKCTRB1CTSKCTSLCTSS
SCHEMBL4343315 0.89 CTRB1 (0.52) SYKCTRB1ELANEATMCA12
SCHEMBL4343313 0.89 CTRB1 (0.52) SYKCTRB1ELANEATMCA12
SCHEMBL14842341 0.89 CTRB1 (0.52) SYKCTRB1CTSKELANECYP1A2
SCHEMBL14842340 0.89 CTRB1 (0.52) SYKCTRB1CTSKELANECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3395796-B1 A CRYSTALLINE TRIHYDRATE FORM OF (3S,3S') 4,4'-DISULFANEDIYLBIS (3-AMINOBUTANE 1-SULFONIC ACID) QUANTUM GENOMICS (FR) 2021-11-24 EP disclosed
EP-3395796-A1 A CRYSTALLINE TRIHYDRATE FORM OF (3S,3S ) 4,4 -DISULFANEDIYLBIS (3-AMINOBUTANE 1-SULFONIC ACID) Quantum Genomics (FR) 2018-10-31 EP disclosed
US-9340497-B2 Method for the preparation of (3S,3S′) 4,4′-disulfanediylbis (3-aminobutane 1-sulfonic acid) QUANTUM GENOMICS (FR) 2016-05-17 US disclosed
US-20160046571-A1 METHOD FOR THE PREPARATION OF (3S,3S') 4,4'-DISULFANEDIYLBIS (3-AMINOBUTANE 1-SULFONIC ACID) QUANTUM GENOMICS (FR) 2016-02-18 US disclosed
US-9187418-B2 Method for the preparation of (3S, 3S′) 4,4′-disulfanediylbis (3-aminobutane 1-sulfonic acid) QUANTUM GENOMICS (FR) 2015-11-17 US disclosed
US-20130231500-A1 METHOD FOR THE PREPARATION OF (3S, 3S') 4,4'-DISULFANEDIYLBIS (3-AMINOBUTANE 1-SULFONIC ACID) QUANTUM GEOMICS (FR) 2013-09-05 US disclosed
EP-2625163-A1 METHOD FOR THE PREPARATION OF (3S,3S') 4,4'-DISULFANEDIYLBIS (3-AMINOBUTANE 1-SULFONIC ACID) Quantum Genomics (FR) 2013-08-14 EP disclosed
WO-2012045849-A1 METHOD FOR THE PREPARATION OF (3S,3S') 4,4'-DISULFANEDIYLBIS (3-AMINOBUTANE 1-SULFONIC ACID) QUANTUM GENOMICS (FR) 2012-04-12 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-20160046571-A1 METHOD FOR THE PREPARATION OF (3S,3S') 4,4'-DISULFANEDIYLBIS (3-AMINOBUTANE 1-SULFONIC ACID) STS, TST, CYP2S1 SYK 2623/4885CTRB1 966/4885CTSK 3916/4885
US-20130231500-A1 METHOD FOR THE PREPARATION OF (3S, 3S') 4,4'-DISULFANEDIYLBIS (3-AMINOBUTANE 1-SULFONIC ACID) STS, TST, CYP2S1 SYK 2623/4885CTRB1 966/4885CTSK 3916/4885

“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.