SCHEMBL4962898

SCHEMBL4962898

O=C([O-])Cc1ccc(F)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 2/20 0.49
EGFR P00533 2/20 0.45
ERBB2 P04626 2/20 0.45
CTBP2 P56545 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR2 P34972 1/20 0.43
GAA P10253 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41

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
SCHEMBL6536487 0.83 L3MBTL1 (0.50) RAB9ACTBP2CES2CES1SMN1; SMN2
SCHEMBL11578280 0.81 GAA (0.53) ALDH1A1RAB9AEGFRERBB2CTBP2
SCHEMBL30363672 0.81 CA1 (0.54) ALDH1A1RAB9AEGFRERBB2CTBP2
SCHEMBL31664355 0.81 GAA (0.53) ALDH1A1RAB9AEGFRERBB2CTBP2
Silver SCHEMBL4963388 0.81 GAA (0.53) ALDH1A1RAB9AEGFRERBB2CTBP2
SCHEMBL5969833 0.81 GAA (0.53) ALDH1A1RAB9AEGFRERBB2CTBP2
SCHEMBL4961628 0.79 CA2 (0.67) RAB9ACES2CES1NPC1POLB
Succinic Acid SCHEMBL105103 0.75 HDAC3 (0.48) ALDH1A1RAB9ACYP3A4CYP2C19CES2
Malonic Acid SCHEMBL105770 0.75 CA4 (0.46) CYP3A4CES2CES1SMN1; SMN2L3MBTL1
SCHEMBL685318 0.74 NFE2L2 (0.44) ALDH1A1RAB9ANPC1

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 ALDH1A1 2370/4885RAB9A 770/4885EGFR 962/4885

“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.