SCHEMBL11892490

SCHEMBL11892490

Oc1ccc([S+](c2ccc(O)cc2)c2ccc3c(c2)C(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc2-3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.45
▸ ESR2 Q92731 2/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ PDK2 Q15119 3/20 0.39
▸ GPR55 Q9Y2T6 3/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TYMS P04818 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ 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
SCHEMBL11892472 0.97 ESR1 (0.43) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL10475778 0.93 ESR1 (0.40) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL11892471 0.92 PDE4D (0.38) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL11892464 0.91 MEN1 (0.49) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL11892503 0.91 ESR1 (0.42) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL11892509 0.90 PDK2 (0.42) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL13088224 0.88 MEN1 (0.46) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL11892473 0.88 MEN1 (0.46) ESR1ESR2MEN1KMT2ALMNA
Trifluoromethanesulfonic Acid SCHEMBL1995500 0.88 PDK2 (0.39) ESR1ESR2MEN1KMT2ALMNA
SCHEMBL11892478 0.85 MEN1 (0.45) ESR1ESR2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227624-B2 Aromatic sulfonium salt compound ADEKA CORPORATION (JP) 2012-07-24 — — US disclosed
US-20110152540-A1 AROMATIC SULFONIUM SALT COMPOUND ADEKA CORPORATION (JP) 2011-06-23 — — US 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-20110152540-A1 AROMATIC SULFONIUM SALT COMPOUND SLC43A1, SLC7A5, SPIN2B ESR1 1751/4885ESR2 1360/4885MEN1 1064/4885

“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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