SCHEMBL9561660

SCHEMBL9561660

COC(=O)C1=C(C(=O)O)CCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.50
SLC6A2 P23975 10/20 0.50
SLC6A4 P31645 1/20 0.50
ACHE P22303 1/20 0.42
DHODH Q02127 2/20 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
SCHEMBL2371417 0.95 SLC6A3 (0.54) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL5607802 0.91 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL8636289 0.91 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL2131145 0.85 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL252316 0.81 DHODH (0.38) SLC6A3SLC6A2SLC6A4DHODH
SCHEMBL16817540 0.80 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL5607056 0.80 NPSR1 (0.46) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL11755388 0.80 NPSR1 (0.46) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL11755378 0.80 NPSR1 (0.46) SLC6A3SLC6A2SLC6A4ACHE
SCHEMBL252263 0.80 DHODH (0.45) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250002470-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ZHEJIANG AIXPLORER BIOTECH CO., LTD. (CN) 2025-01-02 US disclosed
EP-4421068-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Zhejiang Aixplorer Biotech Co., Ltd. (CN) 2024-08-28 EP disclosed
CN-116102535-A Nitrogen-containing compound, preparation method and application thereof 索智生物科技(浙江)有限公司 2023-05-12 CN disclosed
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed
CN-108658762-A A kind of synthetic method of alicyclic ring neighbour diester 浙江凯普化工有限公司 2018-10-16 CN disclosed
US-9604977-B2 Bicyclic thiophenylamide compounds HOFFMAN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-9353102-B2 Non-annulated thiophenylamides HOFFMANN-LA ROCHE INC. (US) 2016-05-31 US disclosed
EP-2861574-B1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
EP-2895481-A1 NON-ANNULATED THIOPHENYLAMIDES AS INHIBITORS OF FATTY ACID BINDING PROTEINI(FABP) 4 AND/OR 5 F. Hoffmann-La Roche AG (CH) 2015-07-22 EP disclosed
US-20150183778-A1 New non-annulated thiophenylamides HOFFMANN-LA ROCHE INC. (US) 2015-07-02 US disclosed
US-20150175594-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2015-06-25 US disclosed
CN-104395301-A New bicyclic thiophenylamide compounds HOFFMANN LA ROCHE 2015-03-04 CN disclosed
WO-2014040938-A1 NON-ANNULATED THIOPHENYLAMIDES AS INHIBITORS OF FATTY ACID BINDING PROTEINI(FABP) 4 AND/OR 5 F. HOFFMANN-LA ROCHE AG (CH) 2014-03-20 WO disclosed
EP-0550019-A2 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
WO-1993008163-A1 UNSATURATED AZABICYCLOAMINE COMPOUNDS AND PROCESSES FOR THE PREPARATION THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed
EP-0537556-A1 Unsaturated azabicycloamine compounds and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-04-21 EP 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 (3 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-20250002470-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF NOD1, NLRP3, NLRP1 SLC6A3 2102/4885SLC6A2 1020/4885SLC6A4 852/4885
US-20150175594-A1 NEW BICYCLIC THIOPHENYLAMIDE COMPOUNDS NAT1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, BICRA SLC6A3 1375/4885SLC6A2 2047/4885SLC6A4 1218/4885
US-20150183778-A1 New non-annulated thiophenylamides NAT1, NCL, NTSR1 SLC6A3 903/4885SLC6A2 1309/4885SLC6A4 584/4885

“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.