SCHEMBL27183017

SCHEMBL27183017

O=S(=O)([O-])Nc1c(F)cccc1F.[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 18)

geneUniProtsupporting neighboursconfidence
▸ CA12 known ✓ O43570 1/20 0.40
▸ CA1 known ✓ P00915 1/20 0.40
▸ CA2 known ✓ P00918 1/20 0.40
▸ PTGS2 known ✓ P35354 1/20 0.34
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA9 Q16790 1/20 0.40
▸ PKM P14618 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ PSIP1 O75475 1/20 0.37
▸ IKBKB O14920 1/20 0.36
▸ PKLR P30613 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ PTGES2 Q9H7Z7 1/20 0.34
▸ SLC40A1 Q9NP59 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
SCHEMBL27182884 0.78 PTGES2 (0.45) SMN1; SMN2PKMTSHRPSIP1PTGES2
SCHEMBL27183300 0.77 PSIP1 (0.58) GAASMN1; SMN2CA12CA1CA2
SCHEMBL10625562 0.76 KEAP1 (0.46) KMT2AGAAMAPK1SMN1; SMN2TSHR
SCHEMBL19585794 0.76 KMT2A (0.42) KMT2AGAAMAPK1SMN1; SMN2CA12
SCHEMBL30873092 0.75 TP53 (0.55) GAAMAPK1SMN1; SMN2PKMTSHR
SCHEMBL27183070 0.75 TP53 (0.55) GAAMAPK1SMN1; SMN2PKMTSHR
SCHEMBL27182731 0.74 TSHR (0.56) KMT2AGAASMN1; SMN2TSHRALDH1A1
SCHEMBL8097925 0.71 CYP19A1 (0.59) CA12CA1CA2CA9PKM
SCHEMBL14831080 0.71 SCN9A (0.43) KMT2AGAAMAPK1SMN1; SMN2PKM
SCHEMBL5796892 0.71 PKM (0.57) KMT2ASMN1; SMN2PKMTSHRALDH1A1

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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