SCHEMBL4803953

SCHEMBL4803953

CCOC(=O)c1ncc2c(ccn2Cc2ccc(F)cc2)c1S(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ELANE P08246 1/20 0.38
EPHX2 P34913 1/20 0.38
PDE4B Q07343 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAOB P27338 1/20 0.36
OPRD1 P41143 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RECQL P46063 1/20 0.35
MAPK10 P53779 1/20 0.35
GAA P10253 1/20 0.35
P2RY12 Q9H244 1/20 0.35

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
SCHEMBL3495187 0.85 MAPT (0.38) MAPTKDM4EPKMLMNANPC1
SCHEMBL2881519 0.83 NPC1 (0.46) MAPTKDM4EPKMLMNANPC1
SCHEMBL4803894 0.82 PDE4B (0.41) MAPTKDM4EPKMLMNANPC1
SCHEMBL4805573 0.82 NPC1 (0.42) MAPTKDM4EPKMLMNANPC1
SCHEMBL4805529 0.81 NPC1 (0.41) MAPTKDM4EPKMLMNANPC1
SCHEMBL3495861 0.79 PDE4B (0.39) MAPTKDM4EPKMLMNANPC1
SCHEMBL3495858 0.79 PDE4B (0.39) MAPTKDM4EPKMLMNANPC1
SCHEMBL3496747 0.79 CYP11B1 (0.42) MAPTKDM4EPKMLMNANPC1
SCHEMBL3493411 0.78 MAPT (0.39) MAPTKDM4EPKMLMNANPC1
SCHEMBL4965978 0.77 PDE4B (0.38) MAPTKDM4EPKMLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP MAPT 600/4885KDM4E 821/4885PKM 1971/4885

“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.