SCHEMBL27182955

SCHEMBL27182955

O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)[O-])c1.[Na+]

nearest known ligand 0.50

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 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 known ✓ O43570 1/20 0.50
▸ CA1 known ✓ P00915 1/20 0.50
▸ CA2 known ✓ P00918 1/20 0.50
▸ THRB known ✓ P10828 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ KMT2A Q03164 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ LMNA P02545 4/20 0.49
▸ HTT P42858 4/20 0.48
▸ GAA P10253 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ MCL1 Q07820 1/20 0.42

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
SCHEMBL7869881 0.84 CYP19A1 (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL27205441 0.82 LMNA (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL27183104 0.81 HSD17B10 (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL27182877 0.81 MCL1 (0.58) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL17526167 0.80 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL4540927 0.80 MEN1 (0.55) ALDH1A1CA12CA1CA2CA9
SCHEMBL5800965 0.79 CRHBP (0.67) ALDH1A1CA12CA1CA2CA9
SCHEMBL27182811 0.79 MAPT (0.51) ALDH1A1HIF1AKMT2AMAPTMEN1
SCHEMBL11932409 0.78 CRHBP (0.60) ALDH1A1CA12CA1CA2CA9
SCHEMBL27182832 0.78 ACLY (0.48) ALDH1A1KMT2AMAPTMEN1LMNA

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-20260114475-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2026-04-30 — — US disclosed
EP-4593631-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME Mars, Incorporated (US) 2025-08-06 — — EP disclosed
WO-2024073025-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2024-04-04 — — WO disclosed
EP-4344552-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY, AND METHODS FOR PREPARING THE SAME MARS, INCORPORATED (US) 2024-04-03 — — 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-20260114475-A1 ANIMAL FOOD COMPOSITIONS WITH IMPROVED PALATABILITY AND CUSTOMIZABILITY, AND METHODS FOR PREPARING THE SAME PIGS, TAS2R13, CEL CA12 2472/4885CA1 3912/4885CA2 3201/4885

“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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