SCHEMBL18975877

SCHEMBL18975877

N#CC=C1CN(S(=O)(=O)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 3/20 0.45
POLB P06746 1/20 0.45
MMP2 P08253 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL21775412 0.72 CA1 (0.31)
SCHEMBL2694482 0.72 MEN1 (0.76) CYP2C9MEN1KMT2APKMPOLB
SCHEMBL2741400 0.71 POLB (0.58) CYP2C9MEN1KMT2APKMPOLB
SCHEMBL7122592 0.69 POLB (0.80) CYP2C9PKMPOLBTSHRALDH1A1
SCHEMBL3830424 0.69 POLB (0.80) CYP2C9PKMPOLBTSHRALDH1A1
SCHEMBL735657 0.69 POLB (0.80) CYP2C9PKMPOLBTSHRALDH1A1
SCHEMBL20527971 0.67 POLB (0.45) MEN1KMT2APOLBTSHRALDH1A1
SCHEMBL21775400 0.67
SCHEMBL18975880 0.67 HPGD (0.47) POLBTSHRALDH1A1MAPK1USP2
SCHEMBL1988224 0.66 ALDH1A1 (0.81) CYP2C9PKMPOLBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11045455-B2 Azetidine derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-06-29 US disclosed
US-11045455-B2 Azetidine derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-06-29 US disclosed
EP-3360878-B9 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2021-05-05 EP disclosed
EP-3360878-B9 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2021-05-05 EP disclosed
EP-3360878-B1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2020-09-16 EP disclosed
EP-3360878-B1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2020-09-16 EP disclosed
US-20200147062-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-05-14 US disclosed
US-20200147062-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-05-14 US disclosed
US-10159662-B2 Azetidine derivative, preparation method therefor, and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-12-25 US disclosed
US-20180289680-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-10-11 US disclosed
WO-2017097224-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-15 WO 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 (4 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-11045455-B2 Azetidine derivative, preparation method therefor, and use thereof JAK1, JAK2, JAK3 CYP2C9 707/4885MEN1 317/4885KMT2A 1318/4885
US-20200147062-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF JAK1, JAK2, JAK3 CYP2C9 707/4885MEN1 317/4885KMT2A 1318/4885
US-10159662-B2 Azetidine derivative, preparation method therefor, and use thereof JAK1, JAK2, JAK3 CYP2C9 707/4885MEN1 317/4885KMT2A 1318/4885
US-20180289680-A1 AZETIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF JAK1, JAK2, JAK3 CYP2C9 707/4885MEN1 317/4885KMT2A 1318/4885

“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.