SCHEMBL4962405

SCHEMBL4962405

O=C([O-])c1ccccc1F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.50
▸ CES1 P23141 2/20 0.50
▸ PTPN1 P18031 1/20 0.47
▸ ERCC5 P28715 1/20 0.47
▸ FEN1 P39748 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALB P02768 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
Phthalic Acid SCHEMBL107074 0.86 ALDH1A1 (0.50) CES2CES1ALDH1A1ALOX15HPGD
Lithium Ion SCHEMBL9015781 0.84 CES2 (0.62) CES2CES1PTPN1ERCC5FEN1
Silver SCHEMBL11451384 0.84 CES2 (0.62) CES2CES1PTPN1ERCC5FEN1
SCHEMBL9175790 0.84 CES2 (0.62) CES2CES1PTPN1ERCC5FEN1
SCHEMBL10357058 0.84 CES2 (0.62) CES2CES1PTPN1ERCC5FEN1
SCHEMBL4961638 0.83 CES2 (0.50) CES2CES1ALDH1A1GAAKDM4E
Phthalic Acid SCHEMBL107076 0.81 ALDH1A1 (0.56) ALDH1A1ALOX15HPGDKDM4ETDP1
SCHEMBL4965761 0.81 CES2 (0.48) CES2CES1PTPN1ERCC5FEN1
Salicylic Acid SCHEMBL109218 0.79 KDM4E (0.70) ALDH1A1ALOX15GAAHPGDKDM4E
SCHEMBL16447302 0.78 CES2 (0.50) CES2CES1PTPN1ERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 — — EP claimed
EP-1314725-B1 SULFONIUM SALT COMPOUND WAKO PURE CHEM IND LTD (JP) 2008-03-19 — — EP disclosed
US-6924323-B2 Sulfonium salt compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 — — US disclosed
US-20040033434-A1 Sulfonium salt compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2004-02-19 — — US disclosed
EP-1314725-A1 SULFONIUM SALT COMPOUND Wako Pure Chemical Industries, Ltd. (JP) 2003-05-28 — — 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-20040033434-A1 Sulfonium salt compound SPIN1, RER1, SPIN2B CES2 3633/4885CES1 4368/4885PTPN1 6/4885

“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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