Sugi Predict

Sugi Predict / Compounds / SCHEMBL705481

SCHEMBL705481

SCHEMBL705481

F[C](F)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.56
▸ TDP1 Q9NUW8 2/20 0.54
▸ SLC6A2 P23975 2/20 0.54
▸ SLC6A3 Q01959 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA1 P00915 1/20 0.54
▸ CA2 P00918 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TSHR P16473 3/20 0.52
▸ LMNA P02545 4/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ AGXT P21549 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ PTGS2 P35354 1/20 0.45

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
SCHEMBL25398358 0.81 CA12 (0.55) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL10985493 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL7054415 0.81 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL28419926 0.79 ALDH1A1 (0.60) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL6587049 0.78 ALDH1A1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL12273638 0.78 ALDH1A1 (0.48) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL7055323 0.75 ALDH1A1 (0.68) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL1722105 0.75 CA12 (0.65) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL18427393 0.75 ALDH1A1 (0.68) ALDH1A1TDP1SLC6A2SLC6A3MAPK1
SCHEMBL37382 0.75 ALDH1A1 (0.68) ALDH1A1TDP1SLC6A2SLC6A3MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280970-B1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 — — EP claimed
US-8124636-B2 Imidazolidinone derivatives as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-02-28 — — US claimed
EP-2280970-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 — — EP claimed
WO-2009132986-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 — — WO claimed
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HOFFMANN-LA ROCHE, INC. 2009-11-05 — — US claimed
US-20140371459-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-12-18 — — US disclosed
EP-2805948-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF Santen Pharmaceutical Co., Ltd (JP) 2014-11-26 — — EP disclosed
EP-2280970-B1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 — — EP disclosed
US-8124636-B2 Imidazolidinone derivatives as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-02-28 — — US disclosed
EP-2280970-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 — — EP disclosed
WO-2009132986-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 — — WO disclosed
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HOFFMANN-LA ROCHE, INC. 2009-11-05 — — US disclosed
EP-1031575-B1 Process for preparing growth hormone secretagogues PFIZER PROD INC (US) 2004-09-29 — — EP disclosed
EP-1449842-A1 Process for the preparation of pyrazolopyridine tartrates Pfizer Products Inc. (US) 2004-08-25 — — EP disclosed
US-6673929-B2 Process for preparing growth hormone secretagogues PFIZER INC. 2004-01-06 — — US disclosed
US-20030158414-A1 Process for preparing growth hormone secretagogues RAQUALIA PHARMA INC. (JP) 2003-08-21 — — US disclosed
EP-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 — — EP disclosed
US-6541634-B2 Reacting a pyrazolo(4,3-a)pyridine compound with amine PFIZER INC. 2003-04-01 — — US disclosed
US-20020002283-A1 Process for preparing growth hormone secretagogues RAQUALIA PHARMA INC. (JP) 2002-01-03 — — US disclosed
EP-1031575-A1 Process for preparing growth hormone secretagogues Pfizer Products Inc. (US) 2000-08-30 — — EP 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 (4 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-20020002283-A1 Process for preparing growth hormone secretagogues GHRHR, GHSR, PRLHR ALDH1A1 3923/4885TDP1 4744/4885SLC6A2 2882/4885
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HSD11B1, HSD17B1, HSD17B11 ALDH1A1 97/4885TDP1 1007/4885SLC6A2 3590/4885
US-20030158414-A1 Process for preparing growth hormone secretagogues GHRHR, GHSR, PRLHR ALDH1A1 3923/4885TDP1 4744/4885SLC6A2 2882/4885
US-20140371459-A1 INDUSTRIAL PROCESS FOR PREPARATION OF 1,2-DIHYDROQUINOLINE DERIVATIVE OR A SALT THEREOF, AND INTERMEDIATE FOR PREPARATION THEREOF NR3C2, NR5A1, NR3C1 ALDH1A1 1415/4885TDP1 4238/4885SLC6A2 2586/4885

“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.