SCHEMBL867702

SCHEMBL867702

O=Cc1cc(S(=O)(=O)[O-])ccc1Cl.[Na+]

nearest known ligand 0.44

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 11)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.44
TDP1 Q9NUW8 4/20 0.42
LMNA P02545 2/20 0.42
VCAM1 P19320 8/20 0.41
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
ERN1 O75460 1/20 0.34

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
SCHEMBL29683547 1.00 PLCG1 (0.44) PLCG1TDP1LMNAVCAM1ALDH1A1
SCHEMBL28557572 0.82 PLCG1 (0.47) PLCG1TDP1LMNAALDH1A1MEN1
SCHEMBL31244570 0.81 VCAM1 (0.41) TDP1LMNAVCAM1ALDH1A1HSD17B10
SCHEMBL21491267 0.81 LMNA (0.51) TDP1LMNAVCAM1ALDH1A1ERN1
SCHEMBL5807669 0.81 VCAM1 (0.61) LMNAVCAM1ALDH1A1
SCHEMBL867183 0.81 VCAM1 (0.41) TDP1LMNAVCAM1ALDH1A1HSD17B10
SCHEMBL867703 0.79 VCAM1 (0.40) TDP1LMNAVCAM1ALDH1A1HSD17B10
SCHEMBL29683608 0.78 PLCG1 (0.45) PLCG1TDP1LMNAALDH1A1MEN1
SCHEMBL29683607 0.78 PLCG1 (0.45) PLCG1TDP1LMNAALDH1A1MEN1
SCHEMBL867589 0.78 PLCG1 (0.45) PLCG1TDP1LMNAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347013-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE US LLC (US) 2020-11-05 US claimed
US-20180057454-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE US LLC (US) 2018-03-01 US claimed
US-20160221936-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE US LLC (US) 2016-08-04 US claimed
US-9353050-B2 Process for preparation of isosulfan blue APICORE US LLC (US) 2016-05-31 US 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-20120078007-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE, LLC (US) 2012-03-29 US claimed
US-20100094044-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE APICORE, LLC (US) 2010-04-15 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
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-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-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 (11 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 PLCG1 3145/4885TDP1 4474/4885LMNA 3619/4885
US-20200347013-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE SI, STS, MPST PLCG1 3457/4885TDP1 4363/4885LMNA 3413/4885
US-10752580-B2 Process for preparation of isosulfan blue SI, STS, MPST PLCG1 3457/4885TDP1 4363/4885LMNA 3413/4885
US-10626086-B2 Process for the preparation of isosulfan blue SI, STS, MPST PLCG1 3351/4885TDP1 4526/4885LMNA 3452/4885
US-20120078007-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE SI, MPST, STS PLCG1 3145/4885TDP1 4474/4885LMNA 3619/4885
US-20160221936-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE SI, STS, MPST PLCG1 3457/4885TDP1 4363/4885LMNA 3413/4885
US-20080293963-A1 PROCESS FOR PREPARATION ISOSULFAN BLUE SI, STS, MPST PLCG1 3374/4885TDP1 4507/4885LMNA 3626/4885
US-20130310600-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE SI, MPST, STS PLCG1 3145/4885TDP1 4474/4885LMNA 3619/4885
US-20180057454-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE SI, STS, MPST PLCG1 3457/4885TDP1 4363/4885LMNA 3413/4885
US-10590071-B2 Process for the preparation of isosulfan blue SI, STS, MPST PLCG1 3351/4885TDP1 4526/4885LMNA 3452/4885
US-20080281127-A1 PROCESS FOR PREPARATION OF ISOSULFAN BLUE SI, MPST, STS PLCG1 3145/4885TDP1 4474/4885LMNA 3619/4885

“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.