SCHEMBL22974903

SCHEMBL22974903

Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.53

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
▸ PTGS1 known ✓ P23219 1/20 0.43
▸ PTGS2 known ✓ P35354 1/20 0.43
▸ SENP2 Q9HC62 7/20 0.53
▸ SUMO2 P61956 5/20 0.53
▸ SUMO1 P63165 5/20 0.53
▸ SENP7 Q9BQF6 5/20 0.53
▸ POLB P06746 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ SENP3 Q9H4L4 6/20 0.48
▸ SENP1 Q9P0U3 6/20 0.48
▸ SLC7A11 Q9UPY5 3/20 0.46
▸ PHLPP2 Q6ZVD8 4/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PLCG1 P19174 1/20 0.43
▸ APP P05067 1/20 0.43
▸ GLB1 P16278 1/20 0.43
▸ CHAT P28329 1/20 0.43
▸ ENPP2 Q13822 1/20 0.43

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
SCHEMBL4881910 0.89 SLC7A11 (0.52) SENP2SUMO2SUMO1SENP7POLB
SCHEMBL339834 0.89 SLC7A11 (0.52) SENP2SUMO2SUMO1SENP7POLB
SCHEMBL31099405 0.89 SENP2 (0.60) SENP2SUMO2SUMO1SENP7POLB
SCHEMBL1436156 0.89 SENP2 (0.60) SENP2SUMO2SUMO1SENP7POLB
SCHEMBL110924 0.89 SENP2 (0.60) SENP2SUMO2SUMO1SENP7POLB
SCHEMBL110923 0.89 SENP2 (0.60) SENP2SUMO2SUMO1SENP7POLB
SCHEMBL29837421 0.88 SENP2 (0.50) SENP2SUMO2SUMO1SENP7POLB
SCHEMBL1436155 0.88 SENP2 (0.59) SENP2SUMO2SUMO1SENP7POLB
SCHEMBL8969844 0.88 SENP2 (0.59) SENP2SUMO2SUMO1SENP7POLB
SCHEMBL29702707 0.82 ALDH1A1 (0.53) SENP2SUMO2SUMO1SENP7SENP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022188373-A1 METHOD FOR DETECTING WATER-SOLUBLE ANIONIC SYNTHETIC PIGMENT IN FOOD 广州市食品检验所(广州市酒类检测中心) 2022-09-15 — — WO disclosed
US-20210115489-A1 NOVEL MEDIATOR KIKKOMAN CORPORATION (JP) 2021-04-22 — — US disclosed
EP-3780207-A1 NOVEL MEDIATOR Kikkoman Corporation (JP) 2021-02-17 — — EP 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-20210115489-A1 NOVEL MEDIATOR MPO, EPX, LPO PTGS1 1137/4885PTGS2 1179/4885SENP2 2085/4885

“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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