SCHEMBL21945649

SCHEMBL21945649

CC(OC(=O)CC1CCC(=O)N(C(=O)c2ccc3ccccc3c2)C1)C(F)(F)S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.34
BDKRB2 P30411 1/20 0.34
TACR1 P25103 2/20 0.34
CTSK P43235 1/20 0.34
GABBR2 O75899 2/20 0.33
GABBR1 Q9UBS5 2/20 0.33
MCHR1 Q99705 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL21945648 0.85 CHRM2 (0.38) CHRM2
SCHEMBL21945958 0.84 MAPT (0.36) TSHR
SCHEMBL21945956 0.79 BRD4 (0.30)
SCHEMBL21945957 0.78 NPC1 (0.35) NPC1MEN1KMT2AHPGDTSHR
SCHEMBL21945959 0.78 HTR2C (0.34) RAB9AMEN1KMT2ACHRM2
SCHEMBL21945960 0.77 EPHX2 (0.34)
SCHEMBL7602480 0.72 GABBR2 (0.43) RAB9ANPC1MEN1KMT2AGABBR2
SCHEMBL21945158 0.69 MAPT (0.36) TSHR
SCHEMBL21945968 0.69 BRD4 (0.33)
SCHEMBL21945967 0.68 IRAK4 (0.35) TACR1

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-11333974-B2 Onium salt, chemically amplified resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-17 US disclosed
US-20200133122-A1 NOVEL ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-04-30 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-11333974-B2 Onium salt, chemically amplified resist composition, and patterning process ARF5, EIF2B3, KAT5 RAB9A 312/4885NPC1 2646/4885MEN1 4071/4885
US-20200133122-A1 NOVEL ONIUM SALT, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS ARF5, ARF4, EIF2B3 RAB9A 242/4885NPC1 2548/4885MEN1 4139/4885

“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.