SCHEMBL19902206

SCHEMBL19902206

CC(CCN(C)C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
CTSK P43235 3/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
BLM P54132 1/20 0.34
GBA1 P04062 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
PDK2 Q15119 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
LTA4H P09960 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
SCHEMBL16941095 0.84 CTSK (0.39) CTSKMEN1GAAKMT2ACHRNB2
SCHEMBL21974201 0.83 CTSK (0.38) CTSKMEN1GAAKMT2ACHRNB2
SCHEMBL3775087 0.83 CTSK (0.37) CTSKMEN1GAAKMT2ACHRNB2
SCHEMBL16517171 0.83 CTSK (0.37) CTSKMEN1GAAKMT2ACHRNB2
SCHEMBL17898137 0.82 MEN1 (0.34) GABRR1CYP1A2CTSKMEN1GAA
SCHEMBL3711368 0.82 CTSK (0.38) CTSKMEN1GAAKMT2ACHRNB2
SCHEMBL10473405 0.82 MEN1 (0.34) GABRR1CYP1A2CTSKMEN1GAA
SCHEMBL21918067 0.82 CHRNB2 (0.36) CYP1A2CTSKGAACHRNB2CHRNB4
SCHEMBL31169968 0.81 CTSK (0.34) CTSKCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL26272251 0.81 CTSK (0.34) CTSKCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712961-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238633-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-11-21 WO disclosed
US-11685748-B2 Spiro aromatic ring compound and application thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-06-27 US disclosed
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2021-11-18 US disclosed
WO-2021197452-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES 上海翰森生物医药科技有限公司 2021-10-07 WO disclosed
US-10844079-B2 Spiro aromatic ring compound and application thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2020-11-24 US disclosed
WO-2019079626-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-04-25 WO disclosed
US-9902736-B2 1-oxo/acylation-14-acylated oridonin derivative, preparation method therefor and application thereof HANGZHOU BENSHENG PHARMACEUTICAL CO., LTD. (CN) 2018-02-27 US disclosed
CN-101827838-A Cannabinoid receptor ligand ASTRAZENECA AB 2010-09-08 CN 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-20210355105-A1 REGULATOR OF NITROGEN-CONTAINING HETEROAROMATIC DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF PTPN11, PTPN1, PTPN7 GABRR1 916/4885CYP1A2 1674/4885CTSK 4866/4885
US-10844079-B2 Spiro aromatic ring compound and application thereof PTPN1, PTPN11, PTPN5 GABRR1 1871/4885CYP1A2 1444/4885CTSK 4166/4885
US-20230134869-A1 CRYSTAL FORM OF FREE ALKALI OF NITROGEN-CONTAINING AROMATIC DERIVATIVES PTPN22, PTPN2, PTPN5 GABRR1 3025/4885CYP1A2 1264/4885CTSK 4770/4885
US-11685748-B2 Spiro aromatic ring compound and application thereof PTPN1, PTPN11, PTPN5 GABRR1 1871/4885CYP1A2 1444/4885CTSK 4166/4885

“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.