SCHEMBL29540656

SCHEMBL29540656

NC(=O)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.58
WNT3A P56704 3/20 0.58
SMYD3 Q9H7B4 4/20 0.54
TSHR P16473 1/20 0.53
KIF11 P52732 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
HDAC4 P56524 1/20 0.40
PARP1 P09874 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
LCK P06239 1/20 0.39
NOTUM Q6P988 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL3359574 1.00 CTNNB1 (0.58) CTNNB1WNT3ASMYD3TSHRKIF11
Hydrochloric Acid SCHEMBL31726879 0.98 CTNNB1 (0.56) CTNNB1WNT3ASMYD3TSHRKIF11
SCHEMBL15104920 0.89 TSHR (0.53) CTNNB1WNT3ASMYD3TSHRKIF11
SCHEMBL10407674 0.85 CTNNB1 (0.61) CTNNB1WNT3ASMYD3KIF11MRGPRX4
SCHEMBL3866171 0.83 CTNNB1 (0.59) CTNNB1WNT3ASMYD3KIF11MRGPRX4
SCHEMBL351400 0.83 CTNNB1 (0.64) CTNNB1WNT3ASMYD3TSHRMRGPRX4
SCHEMBL29746867 0.81 TSHR (0.53) CTNNB1WNT3ASMYD3TSHRKIF11
SCHEMBL1257050 0.81 CTNNB1 (0.58) CTNNB1WNT3ASMYD3KIF11MRGPRX4
SCHEMBL19160022 0.81 CTNNB1 (0.58) CTNNB1WNT3ASMYD3KIF11MRGPRX4
SCHEMBL1347343 0.81 CTNNB1 (0.58) CTNNB1WNT3ASMYD3MRGPRX4HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-05-04 US claimed
EP-4098258-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-12-07 EP claimed
US-20220112177-A1 KETOAMIDE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF FUDAN UNIVERSITY (CN) 2022-04-14 US claimed
US-12636275-B2 Pharmaceutical use of ketoamide-based compound SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2026-05-26 US disclosed
WO-2025235833-A1 RXFP1 RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2025-11-13 WO 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-116730995-B Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2024-06-25 CN 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
WO-2024032715-A1 HYDRAZIDE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 深圳微芯生物科技股份有限公司 2024-02-15 WO disclosed
CN-116730995-A Hydrazide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-09-12 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

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 CTNNB1 2071/4885WNT3A 4041/4885SMYD3 2403/4885
US-20230133600-A1 PHARMACEUTICAL USE OF KETOAMIDE-BASED COMPOUND CTSL, CTSV, CTSS CTNNB1 2194/4885WNT3A 4064/4885SMYD3 2813/4885
US-12636275-B2 Pharmaceutical use of ketoamide-based compound CTSV, CTSL, CTSS CTNNB1 2406/4885WNT3A 3863/4885SMYD3 3558/4885
US-12152017-B2 Ketoamide compound and preparation method, pharmaceutical composition, and use thereof ACE, REN, ACE2 CTNNB1 2071/4885WNT3A 4041/4885SMYD3 2403/4885

“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.