SCHEMBL5606038

SCHEMBL5606038

O=C1C(=O)c2ccc(OS(=O)(=O)[O-])cc2OC1=C1C=CC=CC1.[Na+]

nearest known ligand 0.36

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
CA2 known ✓ P00918 1/20 0.32
MAPT P10636 8/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 2/20 0.34
PSMD14 O00487 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLIN1 O60240 1/20 0.34
USP2 O75604 1/20 0.34
PLIN5 Q00G26 1/20 0.34
ABHD5 Q8WTS1 1/20 0.34
STS P08842 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33

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
SCHEMBL1950924 0.73 PKM (0.39) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL3485829 0.62 PLK1 (0.31)
SCHEMBL3058448 0.62 TYR (0.40) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL7793547 0.61 MAOB (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7793551 0.61 MAOB (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10708659 0.60 PKLR (0.47) MAPTALDH1A1LMNAMEN1KMT2A
Water SCHEMBL15848113 0.59 PKLR (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL3761324 0.59 KDM4E (0.74) ALDH1A1KDM4EKMT2ATDP1L3MBTL1
SCHEMBL29205864 0.58 CA2 (0.59) LMNAMEN1KMT2AHTTTDP1
SCHEMBL8780706 0.58 PKM (0.39) MAPTALDH1A1LMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781305-A2 COMPOSITIONS AND METHODS USING HYALURONIC ACID AND HYALURONIDASE INHIBITORS ANGIOTECH INTERNATIONAL AG (CH) 2007-05-09 EP claimed
WO-2006020994-A2 COMPOSITIONS AND METHODS USING HYALURONIC ACID AND HYLURONIDASE INHIBITORS ANGIOTECH INTERNATIONAL AG (CH) 2006-02-23 WO claimed
EP-1781305-A2 COMPOSITIONS AND METHODS USING HYALURONIC ACID AND HYALURONIDASE INHIBITORS ANGIOTECH INTERNATIONAL AG (CH) 2007-05-09 EP disclosed
US-20060040894-A1 Compositions and methods using hyaluronic acid ANGIOTECH INTERNATIONAL AG (CH) 2006-02-23 US disclosed
WO-2006020994-A2 COMPOSITIONS AND METHODS USING HYALURONIC ACID AND HYLURONIDASE INHIBITORS ANGIOTECH INTERNATIONAL AG (CH) 2006-02-23 WO 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 (1 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-20060040894-A1 Compositions and methods using hyaluronic acid CD44, MMP13, MMP1 CA2 1161/4885MAPT 4556/4885ALDH1A1 943/4885

“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.