SCHEMBL867589

SCHEMBL867589

O=Cc1cc(S(=O)(=O)[O-])ccc1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.36
P2RY4 known ✓ P51582 1/20 0.33
P2RY6 known ✓ Q15077 1/20 0.33
PTGS1 known ✓ P23219 1/20 0.33
PLCG1 P19174 1/20 0.45
TDP1 Q9NUW8 5/20 0.44
LMNA P02545 3/20 0.44
RAD51 Q06609 8/20 0.39
DUSP5 Q16690 3/20 0.37
KDM4E B2RXH2 3/20 0.36
CYP3A4 P08684 3/20 0.36
MAPT P10636 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 2/20 0.36
BLM P54132 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LTA P01374 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL29683607 1.00 PLCG1 (0.45) PLCG1TDP1LMNARAD51DUSP5
SCHEMBL29683608 1.00 PLCG1 (0.45) PLCG1TDP1LMNARAD51DUSP5
SCHEMBL28557572 0.88 PLCG1 (0.47) PLCG1TDP1LMNARAD51DUSP5
SCHEMBL29425559 0.84 RAD51 (0.46) PLCG1TDP1LMNARAD51DUSP5
SCHEMBL2996003 0.84 RAD51 (0.46) PLCG1TDP1LMNARAD51DUSP5
SCHEMBL10452311 0.82 TDP1 (0.62) PLCG1TDP1LMNARAD51KDM4E
Water SCHEMBL29837428 0.82 RAD51 (0.49) PLCG1TDP1LMNARAD51DUSP5
Water SCHEMBL4017540 0.82 RAD51 (0.49) PLCG1TDP1LMNARAD51DUSP5
SCHEMBL5728771 0.78 PLCG1 (0.69) PLCG1TDP1LMNAKMT2APOLB
SCHEMBL867702 0.78 PLCG1 (0.44) PLCG1TDP1LMNAHSD17B10MEN1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117753217-A Anti-pollution polyamide reverse osmosis membrane containing amphoteric ions and preparation method and application thereof 万华化学集团股份有限公司 2024-03-26 CN claimed
US-8969616-B2 Process for preparation of isosulfan blue APICORE US LLC (US) 2015-03-03 US claimed
US-20130310600-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE, LLC (US) 2013-11-21 US claimed
US-7662992-B2 Process for preparation of isosulfan blue APICORE, LLC (US) 2010-02-16 US claimed
US-20080293963-A1 PROCESS FOR PREPARATION ISOSULFAN BLUE APICORE, LLC (US) 2008-11-27 US claimed
WO-2008140564-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE, LLC (US) 2008-11-20 WO claimed
US-20080281127-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE, LLC (US) 2008-11-13 US claimed
CN-117753217-A Anti-pollution polyamide reverse osmosis membrane containing amphoteric ions and preparation method and application thereof 万华化学集团股份有限公司 2024-03-26 CN disclosed
US-20200347013-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE US LLC (US) 2020-11-05 US disclosed
US-10752580-B2 Process for preparation of isosulfan blue APICORE US LLC (US) 2020-08-25 US disclosed
US-10723745-B2 Isosulfan blue, its crystalline form and process for preparation thereof BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2020-07-28 US disclosed
US-10626086-B2 Process for the preparation of isosulfan blue APICORE US LLC (US) 2020-04-21 US disclosed
US-10590071-B2 Process for the preparation of isosulfan blue APICORE US LLC (US) 2020-03-17 US disclosed
US-20130310600-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE, LLC (US) 2013-11-21 US disclosed
US-20120078007-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE, LLC (US) 2012-03-29 US disclosed
US-20100094044-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE, LLC (US) 2010-04-15 US disclosed
US-7662992-B2 Process for preparation of isosulfan blue APICORE, LLC (US) 2010-02-16 US disclosed
US-20080293963-A1 PROCESS FOR PREPARATION ISOSULFAN BLUE APICORE, LLC (US) 2008-11-27 US disclosed
WO-2008140564-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE, LLC (US) 2008-11-20 WO disclosed
US-20080281127-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE, LLC (US) 2008-11-13 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 (10 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-20100094044-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE SI, MPST, STS THRB 3354/4885P2RY4 1888/4885P2RY6 1568/4885
US-20200347013-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE SI, STS, MPST THRB 3217/4885P2RY4 2127/4885P2RY6 2019/4885
US-10752580-B2 Process for preparation of isosulfan blue SI, STS, MPST THRB 3217/4885P2RY4 2127/4885P2RY6 2019/4885
US-10626086-B2 Process for the preparation of isosulfan blue SI, STS, MPST THRB 3415/4885P2RY4 2270/4885P2RY6 1888/4885
US-20120078007-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE SI, MPST, STS THRB 3354/4885P2RY4 1888/4885P2RY6 1568/4885
US-20080293963-A1 PROCESS FOR PREPARATION ISOSULFAN BLUE SI, STS, MPST THRB 3412/4885P2RY4 2047/4885P2RY6 1473/4885
US-20130310600-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE SI, MPST, STS THRB 3354/4885P2RY4 1888/4885P2RY6 1568/4885
US-10590071-B2 Process for the preparation of isosulfan blue SI, STS, MPST THRB 3415/4885P2RY4 2270/4885P2RY6 1888/4885
US-10723745-B2 Isosulfan blue, its crystalline form and process for preparation thereof SI, IK, RPS4Y1 THRB 3701/4885P2RY4 2706/4885P2RY6 3741/4885
US-20080281127-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE SI, MPST, STS THRB 3354/4885P2RY4 1888/4885P2RY6 1568/4885

“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.