SCHEMBL2702140

SCHEMBL2702140

CC(C=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.46
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
ACP3 P15309 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
HSD11B1 P28845 1/20 0.38
TEAD1 P28347 2/20 0.38
CYP3A4 P08684 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CYP1A2 P05177 1/20 0.37
GSK3B P49841 1/20 0.37

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
SCHEMBL11744418 0.82 CYP17A1 (0.37) PDE2ACES2CES1AKR1C3AKR1C2
SCHEMBL21628043 0.82 TYR (0.46)
SCHEMBL96262 0.81 TSHR (0.53) AKR1C3AKR1C2CYP3A4CYP1A2
SCHEMBL11737852 0.81 PTPN1 (0.38) PDE2ACES2CES1AKR1C3AKR1C2
SCHEMBL30145350 0.79 TSHR (0.52) AKR1C3AKR1C2HSD11B1CYP3A4CYP1A2
SCHEMBL28018303 0.79 CES2 (0.39) CES2AKR1C3AKR1C2
Methane SCHEMBL10638817 0.79 TSHR (0.52) AKR1C3AKR1C2CYP3A4CYP1A2
SCHEMBL15333298 0.78 CES2 (0.46) PDE2ACES2CES1ACP3HSD11B1
SCHEMBL5185160 0.78 CES2 (0.46) PDE2ACES2CES1ACP3HSD11B1
SCHEMBL17515119 0.77 DAO (0.49) CES2ACP3HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116113635-B Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2025-03-18 CN claimed
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 US claimed
EP-4721737-A1 USE OF PHARMACEUTICAL COMPOSITION COMPRISING COMPOUND HAVING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE FOR TREATING ANEMIA-RELATED DISEASES Scinnohub Pharmaceutical Co., Ltd. (CN) 2026-04-08 EP disclosed
US-20250145635-A1 COMPOUND CONTAINING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE AND USE THEREOF IN MEDICINE SCINNOHUB PHARMACEUTICAL CO., LTD. (CN) 2025-05-08 US disclosed
CN-116113635-B Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2025-03-18 CN disclosed
US-20250084084-A1 Crystalline form of (2R)-2-(5-fluoro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-(pyrimidin-2-yl)-3,4-dihydro-1H-spiro[1,8-naphthyridine-2,3-pyrrolidin]-1-yl]propan-1-one PFIZER INC. (US) 2025-03-13 US disclosed
WO-2024245143-A1 USE OF PHARMACEUTICAL COMPOSITION COMPRISING COMPOUND HAVING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE FOR TREATING ANEMIA-RELATED DISEASES 赛诺哈勃药业(成都)有限公司 2024-12-05 WO disclosed
EP-4455136-A1 COMPOUND CONTAINING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE AND USE THEREOF IN MEDICINE Scinnohub Pharmaceutical Co., Ltd. (CN) 2024-10-30 EP disclosed
CN-118510768-A Diazasulfinyl structure-containing compounds and their use in medicine 赛诺哈勃药业(成都)有限公司 2024-08-16 CN disclosed
WO-2023116774-A1 COMPOUND CONTAINING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE AND USE THEREOF IN MEDICINE 赛诺哈勃药业(成都)有限公司 2023-06-29 WO disclosed
CN-116332929-A 3-amido-beta-carboline compound, preparation method and application thereof 中国科学院上海药物研究所 2023-06-27 CN disclosed
US-4336400-A BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS STERLING DRUG INC. (US) 1982-06-22 US disclosed
US-4285947-A DIURETICS, HYPOTENSIVES INTERX RESEARCH CORPORATION (US) 1981-08-25 US disclosed
EP-0032725-A1 Novel aldehyde adducts of triamterene and a pharmaceutical composition containing the same MERCK & CO. INC. (US) 1981-07-29 EP disclosed
US-4275219-A Novel process and intermediates useful in the preparation of sympathomimetic amines INTERX RESEARCH CORPORATION (US) 1981-06-23 US disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4145441-A SYMPATHOMIMETIC AMINES EXHIBITING ANTI-HEMORRHOIDAL ACTIVITY INTERX RESEARCH CORPORATION (US) 1979-03-20 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed
US-4094983-A \"KETO\" SYMPATHOMIMETIC AMINES INTERX RESEARCH CORPORATION (US) 1978-06-13 US disclosed
US-4035405-A Novel synthesis for preparing the hydrochloride salt of selected catecholamine derivatives INTERX RESEARCH CORPORATION (US) 1977-07-12 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 (2 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-20250084084-A1 Crystalline form of (2R)-2-(5-fluoro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-(pyrimidin-2-yl)-3,4-dihydro-1H-spiro[1,8-naphthyridine-2,3-pyrrolidin]-1-yl]propan-1-one CSPP1, PRNP, RPLP2 PDE2A 3501/4885CES2 4268/4885CES1 4393/4885
US-20250145635-A1 COMPOUND CONTAINING BIS(AZANYLYLIDENE) SULFONYL STRUCTURE AND USE THEREOF IN MEDICINE BCL9, USP9X, BCL9L PDE2A 1826/4885CES2 3558/4885CES1 795/4885

“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.