Sugi Predict

Sugi Predict / Compounds / SCHEMBL72847

SCHEMBL72847

SCHEMBL72847

[CH2]/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.55
▸ AHR P35869 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ FBP1 P09467 1/20 0.52
▸ NQO2 P16083 1/20 0.52
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ ADAM17 P78536 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ CYP1A1 P04798 4/20 0.44
▸ CYP1B1 Q16678 4/20 0.44
▸ P4HB P07237 1/20 0.44
▸ MAOB P27338 2/20 0.42

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
SCHEMBL72848 1.00 CYP1A2 (0.55) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL22931544 0.85 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13790263 0.85 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13790273 0.85 AHR (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL29507308 0.82 AHR (0.65) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL9970464 0.80 CYP1A2 (0.59) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL10031941 0.79 AHR (0.57) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL5751953 0.78 CYP1A2 (0.57) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL13267807 0.78 CA1 (0.68) CYP1A2AHRPTGS1FBP1NQO2
SCHEMBL28913499 0.77 CYP1A2 (0.52) CYP1A2AHRPTGS1FBP1NQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103626692-A 3,5-diaryl-ylidene piperidone derivatives and application thereof in preparing blood glucose-reducing and fat-reducing medicine UNIV PLA 2ND MILITARY MEDICAL 2014-03-12 — — CN claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 — — EP claimed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 — — US claimed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 — — EP claimed
US-9686990-B2 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-06-27 — — US disclosed
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LIMITED (GB) 2016-01-14 — — US disclosed
US-9174987-B2 Spiroindolinepiperidine derivatives SYNGENTA LIMITED (DE) 2015-11-03 — — US disclosed
CN-103626692-B The two aryl methene phenylpiperidines ketone derivatives of 3,5-and preparing the application in hypoglycemic medicine ARMY MEDICAL UNIV. NO.2, CHINESE PLA (CN) 2015-10-28 — — CN disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 — — US disclosed
US-9045422-B2 Piperidine derivatives with pesticidal properties SYNGENTA PARTICIPATIONS AG (CH) 2015-06-02 — — US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 — — US disclosed
EP-1880996-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2014-12-24 — — EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 — — WO disclosed
CN-1151138-C Triazole antifungal agent ������������ʽ���� 2004-05-26 — — CN disclosed
CN-1187191-A Triazole antifungal agents SANKYO CO (JP) 1998-07-08 — — CN disclosed
CN-1029962-C Triazole derivatives, their preparation and their use as fungicides SANKYO CO (JP) 1995-10-11 — — CN disclosed
US-5053070-A PYRIMIDINE DERIVATIVES, PREPARATION PROCESSES THEREOF, HERBICIDE CONTAINING THE SAME, AND HERBICIDAL COMPOSITIONS CONTAINING THE SAME ALONG WITH OTHER ACTIVE INGREDIENT MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-10-01 — — US disclosed
US-4986846-A PRE-AND POSTEMERGENCE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-01-22 — — US disclosed
EP-0374839-A1 2-(4,6-Dimethoxy-2-pyrimidinyloxy)benzaldoximes, preparation processes thereof, herbicides containing the same, and herbicidal compositions containing the same along with other active ingredients MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-06-27 — — EP disclosed
CN-1036759-A Triazole derivative, its preparation method and its purposes as mycocide SANKYO CO (JP) 1989-11-01 — — 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 (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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CYP1A2 135/4885AHR 1203/4885PTGS1 1542/4885
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 CYP1A2 479/4885AHR 2421/4885PTGS1 1137/4885

“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.