SCHEMBL27182884

SCHEMBL27182884

O=S(=O)([O-])Nc1cccc(F)c1F.[Na+]

nearest known ligand 0.45

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
▸ PTGES2 Q9H7Z7 3/20 0.45
▸ PSIP1 O75475 1/20 0.42
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ BDKRB1 P46663 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ SLC40A1 Q9NP59 1/20 0.36
▸ PGAM1 P18669 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ PLA2G7 Q13093 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL27183300 0.84 PSIP1 (0.58) PSIP1PKMPGAM1SLC22A12TSHR
SCHEMBL30873092 0.81 TP53 (0.55) PSIP1PKMTP53SLC40A1PLA2G7
SCHEMBL27183070 0.81 TP53 (0.55) PSIP1PKMTP53SLC40A1PLA2G7
SCHEMBL28120165 0.78 PTGES2 (0.54) PTGES2PSIP1PIK3CDPIK3CAPIK3CB
SCHEMBL2642570 0.78 KEAP1 (0.53) PTGES2PSIP1PIK3CDPIK3CAPIK3CB
SCHEMBL27183017 0.78 KMT2A (0.41) PTGES2PSIP1PKMSLC40A1TSHR
SCHEMBL6760868 0.74 RECQL (0.57) PTGES2BDKRB1PKMSLC40A1TSHR
SCHEMBL11405633 0.69 KEAP1 (0.65) TP53TSHRNPC1RAB9A
Sulfuric Acid SCHEMBL20984554 0.69 PTGES2 (0.45) PTGES2PSIP1PIK3CDPIK3CAPIK3CB
SCHEMBL30834890 0.69 KEAP1 (0.67) PKMTP53

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 PTGES2 3079/4885PSIP1 941/4885PIK3CD 492/4885

“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.

Send feedback