SCHEMBL3454541

SCHEMBL3454541

O=C(OCCCS(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.40
CYP17A1 P05093 2/20 0.40
CYP19A1 P11511 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL3454497 0.93 ALDH1A1 (0.45) ALDH1A1GAASMN1; SMN2RECQLKMT2A
SCHEMBL515758 0.81 ALDH1A1 (0.39) ALDH1A1GAASMN1; SMN2RECQLKMT2A
SCHEMBL2887913 0.80 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2RECQLKMT2A
SCHEMBL13148562 0.79 RECQL (0.54) ALDH1A1GAASMN1; SMN2RECQLLMNA
SCHEMBL544306 0.79 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2RECQLKMT2A
SCHEMBL9894463 0.76 RECQL (0.44) ALDH1A1GAASMN1; SMN2RECQLKMT2A
SCHEMBL3454542 0.76 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2RECQLKMT2A
SCHEMBL13148547 0.76 CYP17A1 (0.61) ALDH1A1GAASMN1; SMN2RECQLKMT2A
SCHEMBL31206130 0.75 ALDH1A1 (0.40) ALDH1A1GAASMN1; SMN2RECQLKMT2A
SCHEMBL2775740 0.75 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2RECQLLMNA

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-8394570-B2 Sulfonium salt, acid generator, resist composition, photomask blank, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-12 US disclosed
US-20100143830-A1 SULFONIUM SALT, ACID GENERATOR, RESIST COMPOSITION, PHOTOMASK BLANK, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-10 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-20100143830-A1 SULFONIUM SALT, ACID GENERATOR, RESIST COMPOSITION, PHOTOMASK BLANK, AND PATTERNING PROCESS TYK2, VRK2, ARSA ALDH1A1 3818/4885GAA 3795/4885SMN1; SMN2 1738/4885

“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.