Sugi Predict

Sugi Predict / Compounds / SCHEMBL3135053

SCHEMBL3135053

SCHEMBL3135053

Nc1c(Br)cc(C(=O)C(F)(F)F)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.52
▸ CES1 P23141 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA3 P07451 1/20 0.39
▸ ACHE P22303 2/20 0.38
▸ NOTUM Q6P988 1/20 0.35
▸ TTR P02766 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MLYCD O95822 3/20 0.34
▸ TSHR P16473 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33

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
SCHEMBL28657714 0.89 GSK3B (0.42) GSK3BCES1MAPTACHENOTUM
SCHEMBL978740 0.81 CES1 (0.45) CES1ACHENOTUMTTRMLYCD
SCHEMBL981173 0.79 CES1 (0.43) CES1ACHENOTUMTTRMLYCD
SCHEMBL28662791 0.77 HDAC1 (0.53) CES1ACHEHDAC1HDAC6MLYCD
SCHEMBL2560056 0.76 CES1 (0.48) CES1ACHENOTUMMLYCD
SCHEMBL17265821 0.76 CES1 (0.48) CES1ACHEMLYCD
SCHEMBL2319658 0.75 HSD11B1 (0.44) CES1CA1CA2CA9ACHE
SCHEMBL5981761 0.75 GSK3B (0.61) GSK3BGAAMAPTCA1CA2
SCHEMBL28663972 0.75 NOTUM (0.42) CES1MAPTACHENOTUMMLYCD
SCHEMBL29234171 0.73 NOTUM (0.41) CES1MAPTACHENOTUMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651710-B Preparation method of 3, 5-substituted-4-amino trifluoroacetophenone and derivatives thereof 台州臻挚生物科技有限公司 2024-06-21 — — CN disclosed
CN-113651710-A Preparation method of 3, 5-substituted-4-amino trifluoro acetophenone and its derivative 杭州臻挚生物科技有限公司 2021-11-16 — — CN disclosed
US-8618173-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, LLC (US) 2013-12-31 — — US disclosed
US-20100240712-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 — — US disclosed
US-20100240712-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 — — US disclosed
US-20100240712-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-09-23 — — US disclosed
EP-2203052-A2 BISAMIDE DERIVATIVES AND THEIR USE AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2010-07-07 — — EP disclosed
WO-2009049845-A2 BISAMIDE DERIVATIVES AND THEIR USE AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 — — WO disclosed
WO-2009049845-A2 BISAMIDE DERIVATIVES AND THEIR USE AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-04-23 — — 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-20100240712-A1 INSECTICIDAL COMPOUNDS CHRM1, CHRM2, ACHE GSK3B 3801/4885CES1 2241/4885GAA 1656/4885

“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.