SCHEMBL3935611

SCHEMBL3935611

C=C(C(=O)O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KAT6A Q92794 4/20 0.51
▸ MAOB P27338 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TAS1R2 Q8TE23 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ GPR139 Q6DWJ6 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ MGLL Q99685 1/20 0.43
▸ NOTUM Q6P988 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41

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
SCHEMBL29459930 0.83 MRGPRX4 (0.61) KAT6ATAS1R3TAS1R1TAS1R2MRGPRX4
SCHEMBL496275 0.83 MRGPRX4 (0.61) KAT6ATAS1R3TAS1R1TAS1R2MRGPRX4
SCHEMBL2095288 0.81 KAT6A (0.51) KAT6AMAOBTAS1R3TAS1R1TAS1R2
SCHEMBL690501 0.81 KAT6A (0.54) KAT6AMAOBTAS1R3TAS1R1TAS1R2
SCHEMBL4420270 0.81 MAOB (0.52) KAT6AMAOBTAS1R3TAS1R1TAS1R2
SCHEMBL30668192 0.80 KAT6A (0.57) KAT6ATAS1R3TAS1R1TAS1R2MRGPRX4
SCHEMBL22954042 0.80 KAT6A (0.57) KAT6ATAS1R3TAS1R1TAS1R2MRGPRX4
SCHEMBL28186416 0.80 EPHX2 (0.49) MRGPRX4
SCHEMBL10561497 0.80 KAT6A (0.52) KAT6AMAOBTAS1R3TAS1R1TAS1R2
SCHEMBL28208860 0.80 KAT6A (0.52) KAT6AMAOBTAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF KUNMING INSTITUTE OF ZOOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2025-10-09 — — US disclosed
EP-4553069-A1 ALPHA,ß-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-05-14 — — EP disclosed
CN-119790041-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-04-08 — — CN disclosed
CN-115286625-B Glutaminase allosteric site covalent inhibitor and preparation method and application thereof 浙江工业大学 2025-03-25 — — CN disclosed
CN-117402123-A Alpha, beta-unsaturated amide compounds, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2024-01-16 — — CN disclosed
CN-115286625-A Glutaminase allosteric site covalent inhibitor and preparation method and application thereof 浙江工业大学 2022-11-04 — — CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 — — EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 — — WO 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 (1 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-20250313539-A1 Alpha, Beta-UNSATURATED AMIDE COMPOUND, AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF DEGS1, ACAD11, HADHA KAT6A 2875/4885MAOB 1688/4885TAS1R3 3635/4885

“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.

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