Isosulfan Blue Inner Salt

Isosulfan Blue Inner Salt

SCHEMBL31244567

CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)cc1.[Na+]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Isosulfan Blue Inner Salt. 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
▸ TLR9 known ✓ Q9NR96 1/20 0.64
▸ THRB known ✓ P10828 4/20 0.59
▸ ADORA3 known ✓ P0DMS8 1/20 0.32
▸ PTGS1 known ✓ P23219 1/20 0.32
▸ PDE4A known ✓ P27815 1/20 0.32
▸ ADORA2A known ✓ P29274 1/20 0.32
▸ HSP90AA1 P07900 3/20 0.64
▸ NSD2 O96028 1/20 0.61
▸ G6PD P11413 1/20 0.61
▸ CDK5 Q00535 1/20 0.61
▸ CDK5R1 Q15078 1/20 0.61
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ TDP1 Q9NUW8 4/20 0.59
▸ RECQL P46063 2/20 0.59
▸ BLM P54132 2/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.57
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 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
Isosulfan Blue Inner Salt SCHEMBL30876833 0.99 HSP90AA1 (0.66) HSP90AA1TLR9NSD2G6PDCDK5
Isosulfan Blue Inner Salt SCHEMBL866914 0.99 HSP90AA1 (0.66) HSP90AA1TLR9NSD2G6PDCDK5
Isosulfan Blue Inner Salt SCHEMBL29683989 0.98 HSP90AA1 (0.64) HSP90AA1TLR9NSD2G6PDCDK5
Isosulfan Blue Inner Salt SCHEMBL30876834 0.93 HSP90AA1 (0.66) HSP90AA1TLR9NSD2G6PDCDK5
Isosulfan Blue Inner Salt SCHEMBL180549 0.93 HSP90AA1 (0.66) HSP90AA1TLR9NSD2G6PDCDK5
SCHEMBL29499146 0.92 HSP90AA1 (0.64) HSP90AA1TLR9NSD2G6PDCDK5
SCHEMBL4813305 0.91 HSP90AA1 (0.66) HSP90AA1TLR9NSD2G6PDCDK5
Water SCHEMBL185743 0.90 HSP90AA1 (0.64) HSP90AA1TLR9NSD2G6PDCDK5
Water SCHEMBL5921888 0.89 HSP90AA1 (0.63) HSP90AA1TLR9NSD2G6PDCDK5
SCHEMBL25506709 0.89 HSP90AA1 (0.62) HSP90AA1TLR9NSD2G6PDCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180142-B1 Synthesis process for high purity isosulfan blue using flash chromatography in commercial plant scale RISING PHARMA HOLDINGS, INC. (US) 2024-12-31 — — US claimed
US-20250270168-A1 SYNTHESIS PROCESS FOR HIGH PURITY ISOSULFAN BLUE USING FLASH CHROMATOGRAPHY IN COMMERCIAL PLANT SCALE RISING PHARMA HOLDINGS, INC. (US) 2025-08-28 — — US disclosed
WO-2025179217-A1 AN IMPROVED SYNTHESIS PROCESS FOR HIGH PURITY ISOSULFAN BLUE USING FLASH CHROMATOGRAPHY IN COMMERCIAL PLANT SCALE RISING PHARMA HOLDINGS, INC. (US) 2025-08-28 — — WO disclosed
US-20250270168-A1 SYNTHESIS PROCESS FOR HIGH PURITY ISOSULFAN BLUE USING FLASH CHROMATOGRAPHY IN COMMERCIAL PLANT SCALE RISING PHARMA HOLDINGS, INC. (US) 2025-08-28 — — US disclosed
US-12180142-B1 Synthesis process for high purity isosulfan blue using flash chromatography in commercial plant scale RISING PHARMA HOLDINGS, INC. (US) 2024-12-31 — — US disclosed
US-12180142-B1 Synthesis process for high purity isosulfan blue using flash chromatography in commercial plant scale RISING PHARMA HOLDINGS, INC. (US) 2024-12-31 — — 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 (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-20250270168-A1 SYNTHESIS PROCESS FOR HIGH PURITY ISOSULFAN BLUE USING FLASH CHROMATOGRAPHY IN COMMERCIAL PLANT SCALE CBS, SLC6A12, RPS4Y1 TLR9 4226/4885THRB 3066/4885ADORA3 4777/4885
US-12180142-B1 Synthesis process for high purity isosulfan blue using flash chromatography in commercial plant scale CBS, SLC6A12, RPS4Y1 TLR9 4226/4885THRB 3066/4885ADORA3 4777/4885

“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.

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