SCHEMBL21047744

SCHEMBL21047744

O=C1CCN(c2cccs2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.35
CHRNA7 P36544 1/20 0.35
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
BCHE P06276 1/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL21047585 0.89 NR1I2 (0.37) NR1I2CHRNA7PKMTSHRMAPK1
SCHEMBL21047724 0.89 NR1I2 (0.37) NR1I2CHRNA7PKMTSHRMAPK1
SCHEMBL2635747 0.75
SCHEMBL3053970 0.71 GAA (0.42) PKMTSHRMAPK1GAANPC1
SCHEMBL2048093 0.71
SCHEMBL8181923 0.70 NPC1 (0.44) PKMTSHRMAPK1GAANPC1
SCHEMBL29181 0.70 NPC1 (0.44) PKMTSHRMAPK1GAANPC1
SCHEMBL8496732 0.69 CHRNA7 (0.42) NR1I2CHRNA7PKMGAANPC1
SCHEMBL25427266 0.69 SMN1; SMN2 (0.34) NR1I2CHRNA7PKMTSHRGAA
SCHEMBL1953072 0.68 MEN1 (0.45) CHRNA7TSHRMAPK1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495341-B1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL KANTO DENKA KOGYO KK (JP) 2022-11-02 EP disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS NR1I2 1235/4885CHRNA7 2684/4885PKM 18/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS NR1I2 1235/4885CHRNA7 2684/4885PKM 18/4885

“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.