SCHEMBL4963383

SCHEMBL4963383

O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
KAT6A Q92794 2/20 0.51
GAA P10253 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KMT2A Q03164 5/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
PARP1 P09874 1/20 0.47
USP2 O75604 1/20 0.47
MEN1 O00255 4/20 0.45
KCNK3 O14649 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL106418 0.88 TDP1 (0.47) PKMGAAKMT2ARAB9AHPGD
SCHEMBL108999 0.82 LMNA (0.54) CES2CES1KMT2AMAPTALDH1A1
SCHEMBL15573498 0.82 F2 (0.46) MAPTALDH1A1
SCHEMBL15571662 0.82 F2 (0.46) MAPTALDH1A1
SCHEMBL15571708 0.82 F2 (0.46) MAPTALDH1A1
SCHEMBL15572478 0.82 F2 (0.46) MAPTALDH1A1
SCHEMBL4961633 0.81 HSD11B1 (0.50) PKMCES2CES1KMT2AMEN1
SCHEMBL4962909 0.81 CES2 (0.56) KAT6AGAACES2KMT2AMEN1
SCHEMBL107593 0.79 LMNA (0.48) CES2CES1KMT2AESR1ESR2
SCHEMBL5649620 0.78 PKM (0.61) PKMCES2CES1KMT2AESR1

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 PKM 2775/4885KAT6A 1238/4885GAA 4471/4885

“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.