SCHEMBL3455544

SCHEMBL3455544

O=C(OCCS(=O)(=O)O)C1CCCCC1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ADORA2A P29274 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18775808 0.98 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL18775805 0.98 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL10067084 0.98 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL18775811 0.98 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL18775804 0.98 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL18775803 0.98 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL18776003 0.98 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL10067085 0.96 ALDH1A1 (0.39) ALDH1A1ADRB2ADRB1ADRB3CES2
SCHEMBL18775801 0.93 SMN1; SMN2 (0.37) ALDH1A1ADRB2ADRB1ADRB3MAPT
SCHEMBL18775925 0.89 KMT2A (0.33) ALDH1A1MAPTL3MBTL1MEN1KMT2A

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 3818/4885ADRB2 2422/4885ADRB1 2478/4885

“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.