SCHEMBL2175007

SCHEMBL2175007

O=S(=O)([O-])C[C@H]1O[C@H](OCCCO)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.[Na+]

nearest known ligand 0.49

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 17)

geneUniProtsupporting neighboursconfidence
▸ FGF1 known ✓ P05230 2/20 0.46
▸ CA1 known ✓ P00915 1/20 0.42
▸ CA2 known ✓ P00918 1/20 0.42
▸ FGF2 P09038 2/20 0.46
▸ VEGFA P15692 2/20 0.46
▸ HPSE Q9Y251 2/20 0.46
▸ SSTR1 P30872 8/20 0.45
▸ SSTR2 P30874 8/20 0.45
▸ SSTR4 P31391 8/20 0.45
▸ SSTR3 P32745 8/20 0.45
▸ SSTR5 P35346 8/20 0.45
▸ PTPN1 P18031 2/20 0.42
▸ CDC25B P30305 2/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ NT5E P21589 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ TACR1 P25103 1/20 0.41

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
SCHEMBL12406814 0.89 SSTR1 (0.49) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL12406769 0.86 SSTR1 (0.49) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6889266 0.83 SSTR1 (0.56) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2292522 0.83 SSTR1 (0.56) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL12380725 0.83 SSTR1 (0.56) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL2174784 0.81 SELP (0.49) FGF1FGF2VEGFAHPSESSTR1
SCHEMBL2172388 0.81 SSTR1 (0.44) FGF1FGF2VEGFAHPSESSTR1
SCHEMBL13057269 0.81 SSTR1 (0.44) FGF1FGF2VEGFAHPSESSTR1
SCHEMBL2172392 0.81 SSTR1 (0.44) FGF1FGF2VEGFAHPSESSTR1
SCHEMBL2172334 0.80 SSTR1 (0.49) SSTR1SSTR2SSTR4SSTR3SSTR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2388264-A1 COMPOUND RETAINED IN TUMOR Toyo Suisan Kaisha, Ltd. (JP) 2011-11-23 — — EP disclosed
US-20110254443-A1 PHASE AND FREQUENCY LOCKED MAGNETRON MUONS, INC. 2011-10-20 — — US disclosed
US-7973145-B2 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same TOYO SUISAN KAISHA, LTD. (JP) 2011-07-05 — — US disclosed
US-20100298246-A1 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same TOYO SUISAN KAISHA, LTD. (JP) 2010-11-25 — — US disclosed
US-20100202971-A1 COMPOUND HAVING TUMOR-RESIDENT PROPERTY OHTA KEISUKE 2010-08-12 — — US disclosed
EP-2130834-A1 NOVEL SULFONATED SUGAR DERIVATIVE, AND USE THEREOF FOR MEDICINAL AGENT Toyo Suisan Kaisha, Ltd. (JP) 2009-12-09 — — EP disclosed
US-20090209475-A1 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same TOYO SUISAN KAISHA, LTD. (JP) 2009-08-20 — — 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 (3 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-20100298246-A1 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same SLC5A2, SLC5A1, DEGS1 FGF1 1431/4885CA1 1420/4885CA2 643/4885
US-20100202971-A1 COMPOUND HAVING TUMOR-RESIDENT PROPERTY HRH3, HRH4, HNRNPH3 FGF1 3729/4885CA1 677/4885CA2 478/4885
US-20090209475-A1 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same SLC5A2, SLC5A1, DEGS1 FGF1 1431/4885CA1 1420/4885CA2 643/4885

“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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