SCHEMBL10172842

SCHEMBL10172842

O=C(OCCCCS(=O)(=O)O)C1CC2CCC1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
EPHX2 P34913 2/20 0.34
HSD11B1 P28845 1/20 0.34
HPGD P15428 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
KCNQ4 P56696 1/20 0.30

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
SCHEMBL10067078 0.96 POLB (0.41) POLBEPHX2HSD11B1HPGDL3MBTL1
SCHEMBL10172872 0.90 POLB (0.42) POLBEPHX2HSD11B1HPGDL3MBTL1
SCHEMBL21853775 0.86 POLB (0.47) POLBEPHX2HSD11B1HPGDL3MBTL1
SCHEMBL13477395 0.81 POLB (0.42) POLBEPHX2HSD11B1HPGDL3MBTL1
SCHEMBL21430782 0.79 NAAA (0.42) POLBEPHX2HSD11B1MAPK1
SCHEMBL21430783 0.79 NAAA (0.42) POLBEPHX2HSD11B1MAPK1
SCHEMBL12251293 0.79 POLB (0.44) POLBEPHX2HSD11B1HPGDL3MBTL1
SCHEMBL13564247 0.79 POLB (0.44) POLBEPHX2HSD11B1HPGDL3MBTL1
SCHEMBL10172858 0.78 MEN1 (0.43) POLBHPGDL3MBTL1NPC1ALDH1A1
SCHEMBL10172856 0.78 ALDH1A1 (0.32) POLBEPHX2HSD11B1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150346600-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-12-03 US disclosed
US-20150346600-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-12-03 US disclosed
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
US-9200098-B2 Radiation-sensitive composition and compound JSR CORPORATION (JP) 2015-12-01 US disclosed
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-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-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND JSR CORPORATION (JP) 2012-06-28 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 (2 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 POLB 1130/4885EPHX2 3347/4885HSD11B1 2193/4885
US-20120164582-A1 RADIATION-SENSITIVE COMPOSITION AND COMPOUND RAD51, RER1, ATP6AP1 POLB 270/4885EPHX2 2239/4885HSD11B1 2856/4885

“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.