Sugi Predict

Sugi Predict / Compounds / SCHEMBL396812

SCHEMBL396812

SCHEMBL396812

O=C(c1ccccc1)C(Br)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 5/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ GSK3B P49841 2/20 0.46
▸ CES2 O00748 4/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PTPN1 P18031 3/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ DAO P14920 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ ALKBH5 Q6P6C2 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CYP3A4 P08684 2/20 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
SCHEMBL28107248 0.88 GSK3B (0.61) CES1TDP1L3MBTL1GSK3BLMNA
SCHEMBL10417037 0.80 CES1 (0.48) CES1GSK3BCES2LMNAPTPN1
SCHEMBL10444699 0.79 TDP1 (0.47) CES1TDP1L3MBTL1GSK3BCES2
SCHEMBL2649732 0.78 CES1 (0.52) CES1TDP1L3MBTL1GSK3BCES2
SCHEMBL28317285 0.78 CES1 (0.58) CES1TDP1L3MBTL1CES2LMNA
SCHEMBL3897546 0.77 CES1 (0.52) CES1TDP1L3MBTL1CES2LMNA
SCHEMBL27952674 0.77 CES1 (0.50) CES1TDP1L3MBTL1CES2LMNA
SCHEMBL31385094 0.76 CES1 (0.50) CES1TDP1L3MBTL1GSK3BCES2
SCHEMBL27460834 0.76 CES1 (0.41) CES1TDP1L3MBTL1GSK3BCES2
SCHEMBL1110769 0.76 TDP1 (0.52) CES1TDP1L3MBTL1GSK3BCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1939887-A Process for preparation of optionally substituted trifluoromethyl phenacyl bromide SALTIGO GMBH (DE) 2007-04-04 — — CN claimed
EP-1752438-A2 Process for preparation of optionally substituted trifluoromethyl phenacyl bromide Saltigo GmbH (DE) 2007-02-14 — — EP claimed
EP-3507295-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES Mireca Medicines GmbH (DE) 2019-07-10 — — EP disclosed
CN-106946896-B Furans simultaneously [2,3-d] pyrimidine -4- amine derivative 成都知普莱生物医药科技有限公司 2019-05-21 — — CN disclosed
WO-2018041942-A9 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2019-01-17 — — WO disclosed
WO-2018041942-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2018-03-08 — — WO disclosed
CN-106946896-A The furans simultaneously amine derivative of [2,3 d] pyrimidine 4 成都知普莱生物医药科技有限公司 2017-07-14 — — CN disclosed
CN-101346346-B Amine compound and use thereof for medical purposes MITSUBISH TANABE PHARMA CORP 2012-08-22 — — CN disclosed
US-8101290-B2 Organic compound having electron-transporting and/or hole-blocking performance and its use and OLEDs comprising the compound TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY OF CHINESE ACADEMY OF SCIENCES (CN) 2012-01-24 — — US disclosed
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 — — CN disclosed
CN-102083821-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2011-06-01 — — CN disclosed
US-6632828-B2 Treatment of eating disorders and diabetes SCHERING CORPORATION 2003-10-14 — — US disclosed
CN-1434806-A Substituted imidazole neuropeptide YY5 receptor antagonists SCHERING CORP (US) 2003-08-06 — — CN disclosed
US-20030114465-A1 Substituted imidazole neuropeptide Y Y5 receptor antagonists STAMFORD ANDREW W (US) 2003-06-19 — — US disclosed
EP-1237875-A1 SUBSTITUTED IMIDAZOLE NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2002-09-11 — — EP disclosed
CN-1090617-C Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 2002-09-11 — — CN disclosed
US-6444687-B1 EATING DISORDERS AND DIABETES SCHERING CORPORATION 2002-09-03 — — US disclosed
CN-1349796-A Pyrrole derivatives and medicine composition NIPPON SHINYAKU CO LTD (JP) 2002-05-22 — — CN disclosed
WO-2001044201-A1 SUBSTITUTED IMIDAZOLE NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-06-21 — — WO disclosed
CN-1186485-A Pyrrole derivatives and pharmaceutical compositions NIPPON SHINYAKU CO LTD (JP) 1998-07-01 — — CN 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-20030114465-A1 Substituted imidazole neuropeptide Y Y5 receptor antagonists NPY5R, NPY1R, SSTR5 CES1 2218/4885TDP1 3374/4885L3MBTL1 3873/4885

“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.