SCHEMBL4962909

SCHEMBL4962909

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.56
LMNA P02545 2/20 0.55
KAT6A Q92794 1/20 0.53
SRD5A2 P31213 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAOB P27338 1/20 0.50
KCNK3 O14649 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.46
P2RX1 P51575 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
GAA P10253 2/20 0.45
MEN1 O00255 1/20 0.45

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 0.85 TDP1 (0.47) LMNAALDH1A1HPGDKMT2AGAA
SCHEMBL4962453 0.84 HSD11B1 (0.54) CES2LMNASRD5A2ALDH1A1MAOB
SCHEMBL4963383 0.81 PKM (0.54) CES2KAT6AALDH1A1KCNK3HPGD
SCHEMBL9200329 0.81 CES2 (0.62) CES2LMNAKAT6ASRD5A2ALDH1A1
SCHEMBL108999 0.80 LMNA (0.54) CES2LMNAALDH1A1KMT2A
SCHEMBL15571662 0.80 F2 (0.46) ALDH1A1CA1CA2
SCHEMBL15572478 0.80 F2 (0.46) ALDH1A1CA1CA2
SCHEMBL15571708 0.80 F2 (0.46) ALDH1A1CA1CA2
SCHEMBL15573498 0.80 F2 (0.46) ALDH1A1CA1CA2
SCHEMBL31406174 0.79 CES2 (0.69) CES2LMNASRD5A2ALDH1A1MAOB

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
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 3633/4885LMNA 4486/4885KAT6A 1238/4885

“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.