SCHEMBL4328796

SCHEMBL4328796

CC(C(=O)O)N(C(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
BTK Q06187 1/20 0.35
GAA P10253 1/20 0.34
EPHX1 P07099 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
MAPT P10636 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
KMT2A Q03164 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
SCHEMBL9744375 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
SCHEMBL647264 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
SCHEMBL9744380 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
SCHEMBL2712968 1.00 TSHR (0.37) TSHRBTKGAAEPHX1CTSS
Hydrochloric Acid SCHEMBL30546580 0.98 TSHR (0.36) TSHRBTKGAAEPHX1CTSS
SCHEMBL5131640 0.98 BTK (0.36) TSHRBTKGAAKMT2A
SCHEMBL4996407 0.98 BTK (0.36) TSHRBTKGAAKMT2A
SCHEMBL3672475 0.97 BTK (0.36) TSHRBTKKMT2A
SCHEMBL2350718 0.92 KMT2A (0.34) BTKGAAKMT2A
SCHEMBL2350728 0.92 KMT2A (0.34) BTKGAAKMT2A

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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12636275-B2 Pharmaceutical use of ketoamide-based compound SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2026-05-26 US disclosed
US-12152017-B2 Ketoamide compound and preparation method, pharmaceutical composition, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-11-26 US disclosed
CN-113015726-B Ketone amide compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-03-08 CN disclosed
CN-113197895-B Pharmaceutical application of ketoamide compound 中国科学院上海药物研究所 2023-06-20 CN disclosed
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US disclosed
EP-4098258-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 EP disclosed
US-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF FUDAN UNIVERSITY (CN) 2022-04-14 US disclosed
WO-2021151387-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND 中国科学院上海药物研究所 2021-08-05 WO disclosed
CN-113197895-A Pharmaceutical application of ketoamide compound 中国科学院上海药物研究所 2021-08-03 CN disclosed
CN-113015726-A Ketoamide compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2021-06-22 CN disclosed
US-5652258-A HISTAMINE ANTAGONISTS GLIATECH, INC. (US) 1997-07-29 US disclosed
WO-1996038141-A1 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES GLIATECH, INC. (US) 1996-12-05 WO disclosed
US-5270302-A Derivatives of tetrapeptides as CCK agonists ABBOTT LABORATORIES (US) 1993-12-14 US disclosed
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 US disclosed
WO-1991019733-A1 DERIVATIVES OF TETRAPEPTIDES AS CCK AGONISTS ABBOTT LABORATORIES (US) 1991-12-26 WO disclosed
EP-0441191-A2 Retroisosteric dipeptides, their preparation and use as renin inhibitors in pharmaceutical compositions BAYER AG (DE) 1991-08-14 EP disclosed
EP-0441192-A2 Retroisosteric dipeptides, their preparation and use as renin inhibitors in pharmaceutical compositions BAYER AG (DE) 1991-08-14 EP disclosed
CN-1052685-A Leather cleaning brightener for tourist shoes and its preparation method UNIV BEIJING POLYTECHNIC (CN) 1991-07-03 CN disclosed
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 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 (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-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF ACE, REN, ACE2 TSHR 3993/4885BTK 3470/4885GAA 500/4885
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS TSHR 3203/4885BTK 4362/4885GAA 91/4885
US-12636275-B2 Pharmaceutical use of ketoamide-based compound CTSV, CTSL, CTSS TSHR 2450/4885BTK 3136/4885GAA 427/4885
US-12152017-B2 Ketoamide compound and preparation method, pharmaceutical composition, and use thereof ACE, REN, ACE2 TSHR 3993/4885BTK 3470/4885GAA 500/4885

“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.