Sugi Predict

Sugi Predict / Compounds / SCHEMBL3547368

SCHEMBL3547368

SCHEMBL3547368

CCC(=O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.56
▸ CES1 P23141 2/20 0.56
▸ MAPT P10636 8/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ GAA P10253 1/20 0.44
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.38

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
SCHEMBL23905293 0.88 MAPT (0.44) CES2CES1MAPTALDH1A1HPGD
SCHEMBL13971730 0.84 HDAC1 (0.53) CES2CES1MAPTALDH1A1HPGD
SCHEMBL3085193 0.84 MAPT (0.47) CES2CES1MAPTALDH1A1HPGD
SCHEMBL8159099 0.83 MAPT (0.46) CES2CES1MAPTALDH1A1HPGD
SCHEMBL3549232 0.83 MAPT (0.50) CES2CES1MAPTALDH1A1HPGD
SCHEMBL24451058 0.81 MAPT (0.45) MAPTALDH1A1HPGDTSHRGAA
SCHEMBL11382828 0.80 MAPT (0.50) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL22641050 0.79 MAPT (0.44) CES2CES1MAPTALDH1A1HPGD
SCHEMBL6580876 0.79 MAPT (0.44) MAPTALDH1A1HPGDTSHRGAA
SCHEMBL10373277 0.79 CES2 (0.58) CES2CES1MAPTMAOBRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12258323-B2 Dihydrooxadiazinones BAYER AKTIENGESELLSCHAFT (DE) 2025-03-25 — — US disclosed
CN-111212647-B Dihydro oxadiazinones 拜耳股份有限公司 2024-05-14 — — CN disclosed
US-11773070-B2 Dihydrooxadiazinones BAYER AKTIENGESELLSCHAFT (DE) 2023-10-03 — — US disclosed
EP-3661517-B1 DIHYDROOXADIAZINONES BAYER AG (DE) 2023-09-13 — — EP disclosed
CN-110831599-B Compounds, compositions and methods for cancer treatment 布罗德研究所股份有限公司 2023-03-28 — — CN disclosed
US-20230017200-A1 DIHYDROOXADIAZINONES BAYER AKTIENGESELLSCHAFT (DE) 2023-01-19 — — US disclosed
US-20220396554-A1 DIHYDROOXADIAZINONES BAYER AKTIENGESELLSCHAFT (DE) 2022-12-15 — — US disclosed
US-11427553-B2 Dihydrooxadiazinones BAYER AKTIENGESELLSCHAFT (DE) 2022-08-30 — — US disclosed
US-11142522-B2 Compounds, compositions and methods for cancer treatment THE BROAD INSTITUTE, INC. (US) 2021-10-12 — — US disclosed
US-11142522-B2 Compounds, compositions and methods for cancer treatment THE BROAD INSTITUTE, INC. (US) 2021-10-12 — — US disclosed
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 — — US disclosed
US-7829586-B2 Aryl-substituted nitrogen-containing heterocyclic compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-09 — — US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 — — US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 — — US disclosed
US-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds MSD K.K. (JP) 2009-11-05 — — US disclosed
EP-1756089-B1 MERCAPTOIMIDAZOLES AS CCR2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-10-22 — — EP disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 — — EP disclosed
EP-1935881-A1 ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 — — EP disclosed
US-20070244138-A1 Mercaptoimidazoles as Ccr2 Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 — — 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 (8 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-20090275617-A1 Aryl-Substituted Nitrogen-Containing Heterocyclic Compounds OPRL1, NPSR1, NPBWR1 CES2 857/4885CES1 2246/4885MAPT 2946/4885
US-11773070-B2 Dihydrooxadiazinones CCND2, DPYD, DHPS CES2 4179/4885CES1 2194/4885MAPT 4231/4885
US-11142522-B2 Compounds, compositions and methods for cancer treatment CREB1, PDE2A, PDE4A CES2 828/4885CES1 1959/4885MAPT 3646/4885
US-20070244138-A1 Mercaptoimidazoles as Ccr2 Receptor Antagonists CCR2, CCR1, CCR5 CES2 2393/4885CES1 1864/4885MAPT 4705/4885
US-20220396554-A1 DIHYDROOXADIAZINONES CCND2, DPYD, DHPS CES2 4179/4885CES1 2194/4885MAPT 4231/4885
US-12258323-B2 Dihydrooxadiazinones CCND2, CCNT2, CCND1 CES2 4389/4885CES1 2438/4885MAPT 4154/4885
US-20230017200-A1 DIHYDROOXADIAZINONES CCND2, CCNT2, CCND1 CES2 4389/4885CES1 2438/4885MAPT 4154/4885
US-11427553-B2 Dihydrooxadiazinones CCND2, CCNT2, CCND1 CES2 4389/4885CES1 2438/4885MAPT 4154/4885

“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.