SCHEMBL30176649

SCHEMBL30176649

Cc1nc(N=Nc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c(COP(=O)([O-])[O-])c(C=O)c1O.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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
▸ P2RY4 known ✓ P51582 1/20 0.74
▸ P2RY6 known ✓ Q15077 1/20 0.74
▸ P2RY1 known ✓ P47900 4/20 0.69
▸ THRB known ✓ P10828 2/20 0.63
▸ MAPT P10636 7/20 1.00
▸ TDP1 Q9NUW8 7/20 1.00
▸ P2RY13 Q9BPV8 4/20 1.00
▸ THPO P40225 2/20 1.00
▸ TSHR P16473 1/20 1.00
▸ KDM4E B2RXH2 5/20 0.69
▸ P2RX2 Q9UBL9 3/20 0.69
▸ CYP2C19 P33261 2/20 0.69
▸ P2RX3 P56373 2/20 0.69
▸ P2RX7 Q99572 2/20 0.69
▸ P2RX5 Q93086 2/20 0.69
▸ P2RX4 Q99571 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ CASP1 P29466 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ CASP7 P55210 1/20 0.69

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
SCHEMBL7196936 1.00 MAPT (1.00) MAPTTDP1P2RY13THPOTSHR
Water SCHEMBL30904755 0.99 MAPT (0.98) MAPTTDP1P2RY13THPOTSHR
Isoppads SCHEMBL31722449 0.93 MAPT (0.86) MAPTTDP1P2RY13THPOTSHR
SCHEMBL29357199 0.82 MAPT (1.00) MAPTTDP1P2RY13THPOTSHR
SCHEMBL5287746 0.82 MAPT (1.00) MAPTTDP1P2RY13THPOTSHR
SCHEMBL7196930 0.82 MAPT (1.00) MAPTTDP1P2RY13THPOTSHR
SCHEMBL13624677 0.82 MAPT (1.00) MAPTTDP1P2RY13THPOTSHR
SCHEMBL31236767 0.82 MAPT (1.00) MAPTTDP1P2RY13THPOTSHR
SCHEMBL7196945 0.82 MAPT (1.00) MAPTTDP1P2RY13THPOTSHR
SCHEMBL29381820 0.78 MAPT (1.00) MAPTTDP1P2RY13THPOTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250367144-A1 TREATMENT OF HYPERINFLAMMATORY SYNDROME REMICINE IP B V (NL) 2025-12-04 — — US claimed
US-12419848-B2 Treatment of hyperinflammatory syndrome Remicine IP B.V. (NL) 2025-09-23 — — US claimed
US-20230128348-A1 TREATMENT OF HYPERINFLAMMATORY SYNDROME Remicine IP B.V. (NL) 2023-04-27 — — US claimed
EP-4125843-A1 TREATMENT OF HYPERINFLAMMATORY SYNDROME Nomoreitis B.V. (BE) 2023-02-08 — — EP claimed
CN-115605194-A Treatment of excessive inflammatory syndrome 诺莫雷蒂斯私人有限公司(BE) 2023-01-13 — — CN claimed
US-20250367144-A1 TREATMENT OF HYPERINFLAMMATORY SYNDROME REMICINE IP B V (NL) 2025-12-04 — — US disclosed
US-12419848-B2 Treatment of hyperinflammatory syndrome Remicine IP B.V. (NL) 2025-09-23 — — US disclosed
EP-4582147-A2 TREATMENT OF HYPERINFLAMMATORY SYNDROME Remicine IP B.V. (NL) 2025-07-09 — — EP disclosed
EP-4125843-B1 TREATMENT OF HYPERINFLAMMATORY SYNDROME REMICINE IP B V (NL) 2025-05-21 — — EP disclosed
US-20240408211-A1 COMPOSITIONS AND METHODS OF AMELIORATING AVERSIVENESS OF AVERSIVE STIMULI BY INHIBITION OF PURINERGIC RECEPTORS BRESLIN PAUL (US) 2024-12-12 — — US disclosed
US-20230128348-A1 TREATMENT OF HYPERINFLAMMATORY SYNDROME Remicine IP B.V. (NL) 2023-04-27 — — US disclosed
WO-2023060094-A1 COMPOSITIONS AND METHODS OF AMELIORATING AVERSIVENESS OF AVERSIVE STIMULI BY INHIBITION OF PURINERGIC RECEPTORS MONELL CHEMICAL SENSES CENTER (US) 2023-04-13 — — WO disclosed
EP-4125843-A1 TREATMENT OF HYPERINFLAMMATORY SYNDROME Nomoreitis B.V. (BE) 2023-02-08 — — EP disclosed
CN-115605194-A Treatment of excessive inflammatory syndrome 诺莫雷蒂斯私人有限公司(BE) 2023-01-13 — — CN 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-20240408211-A1 COMPOSITIONS AND METHODS OF AMELIORATING AVERSIVENESS OF AVERSIVE STIMULI BY INHIBITION OF PURINERGIC RECEPTORS P2RX3, P2RX2, P2RX6 P2RY4 16/4885P2RY6 13/4885P2RY1 9/4885

“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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