SCHEMBL2174784

SCHEMBL2174784

CCCCCCCCCCCCCCCCCC(=O)OCCCO[C@H]1O[C@H](CS(=O)(=O)[O-])[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 12)

geneUniProtsupporting neighboursconfidence
▸ FGF1 known ✓ P05230 2/20 0.39
▸ SELP P16109 6/20 0.49
▸ VEGFA P15692 4/20 0.46
▸ SSTR1 P30872 1/20 0.41
▸ SSTR2 P30874 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ SSTR5 P35346 1/20 0.41
▸ TNF P01375 1/20 0.40
▸ TACR1 P25103 1/20 0.39
▸ HPSE Q9Y251 3/20 0.39
▸ FGF2 P09038 2/20 0.39

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
SCHEMBL6930044 0.87 VEGFA (0.63) SELPVEGFATNF
SCHEMBL6839245 0.87 VEGFA (0.63) SELPVEGFATNF
SCHEMBL7214255 0.87 VEGFA (0.63) SELPVEGFATNF
SCHEMBL6838278 0.86 VEGFA (0.64) SELPVEGFA
SCHEMBL6927239 0.86 VEGFA (0.64) SELPVEGFA
SCHEMBL6925912 0.86 VEGFA (0.64) SELPVEGFA
SCHEMBL6831894 0.86 VEGFA (0.64) SELPVEGFA
SCHEMBL2174311 0.86 SELP (0.40) SELPSSTR1SSTR2SSTR4SSTR3
SCHEMBL2529003 0.85 TACR1 (0.40) SELPVEGFASSTR1SSTR2SSTR4
SCHEMBL2175007 0.81 FGF1 (0.46) VEGFASSTR1SSTR2SSTR4SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20100298246-A1 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same SLC5A2, SLC5A1, DEGS1 FGF1 1431/4885SELP 1415/4885VEGFA 4475/4885
US-20090209475-A1 Sulfonated sugar compounds, pharmaceutical compositions which contain the same, and methods of treating tumors with the same SLC5A2, SLC5A1, DEGS1 FGF1 1431/4885SELP 1415/4885VEGFA 4475/4885

“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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