SCHEMBL569207

SCHEMBL569207

Cc1nc(C(=O)O)c(C(F)(F)F)o1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.55
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
DDR1 Q08345 1/20 0.40
DGAT1 O75907 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
NTRK1 P04629 1/20 0.33
PIN1 Q13526 1/20 0.33
MAPT P10636 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
SCHEMBL568661 0.85 FBP1 (0.55) FBP1ALDH1A1NPC1PKMRAB9A
SCHEMBL15650510 0.83 FBP1 (0.54) FBP1ALDH1A1NPC1PKMRAB9A
SCHEMBL15318256 0.80 FBP1 (0.55) FBP1ALDH1A1NPC1PKMRAB9A
SCHEMBL13242308 0.80 FBP1 (0.62) FBP1ALDH1A1NPC1PKMRAB9A
SCHEMBL24424625 0.78 FBP1 (0.72) FBP1ALDH1A1NPC1PKMRAB9A
SCHEMBL30630732 0.77 FBP1 (0.35) FBP1ALDH1A1DGAT1
SCHEMBL2592346 0.77 FBP1 (0.38) FBP1ALDH1A1DDR1DGAT1
SCHEMBL3260652 0.75 HCAR2 (0.41) FBP1ALDH1A1SMN1; SMN2PIN1MAPT
SCHEMBL568841 0.75 FBP1 (0.50) FBP1ALDH1A1NPC1PKMRAB9A
SCHEMBL31447179 0.73 FBP1 (0.48) FBP1ALDH1A1NPC1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 EP claimed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 US claimed
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 EP claimed
CN-103814021-A New dihydroquinoline-2-one derivatives HOFFMANN LA ROCHE 2014-05-21 CN claimed
CN-1826121-B Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels SYNTA PHARMACEUTICALS CORP 2013-05-29 CN claimed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 WO claimed
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 US claimed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 CN claimed
CN-101947218-A The method of modulating calcium ion-release-activated calcium ion channels SYNTA PHARMACEUTICALS CORP 2011-01-19 CN claimed
EP-1651232-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2010-12-22 EP claimed
US-7109243-B2 Inhibitors of cathepsin S IRM LLC (BM) 2006-09-19 US claimed
EP-1653968-A4 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS CORP (US) 2006-09-06 EP claimed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN claimed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 CN claimed
EP-1653968-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS Synta Pharmaceuticals Corporation (US) 2006-05-10 EP claimed
EP-1651232-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2006-05-03 EP claimed
US-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs SYNTA PHARMACEUTICALS CORP. 2005-07-07 US claimed
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders SYNTA PHARMACEUTICALS CORP. 2005-05-19 US claimed
WO-2005009954-A2 METHOD FOR MODULATING CALCIUM ION-RELEASE-ACTIVATED CALCIUM ION CHANNELS SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO claimed
WO-2005009539-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS, CORP. (US) 2005-02-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050148633-A1 Calcium channel blockers and releasing ions for prodrugs ORAI1, CACNA1C, CACNA1F FBP1 1773/4885ALDH1A1 2803/4885NPC1 337/4885
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 FBP1 1665/4885ALDH1A1 240/4885NPC1 462/4885
US-20050107436-A1 phenyl and pyridyl derivatives such as 3-Fluoro-N-(2'-trifluoromethyl-biphenyl-4-yl)-isonicotinamide, used as immunosuppressants for the treatmet or prevent inflammatory and immune disorders TPMT, PTPN3, FKBP3 FBP1 68/4885ALDH1A1 1281/4885NPC1 405/4885

“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.