SCHEMBL14834375

SCHEMBL14834375

O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
HDAC3 O15379 1/20 0.48
CYP2C9 P11712 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MGLL Q99685 11/20 0.47
TNKS O95271 3/20 0.46
PARP1 P09874 2/20 0.46
PARP2 Q9UGN5 1/20 0.46
PDK2 Q15119 1/20 0.43
FAAH O00519 4/20 0.42
GRM5 P41594 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ABHD6 Q9BV23 2/20 0.41
PLA2G7 Q13093 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41

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
SCHEMBL1653095 0.83 SMN1; SMN2 (0.56) MAPTHDAC3CYP2C9HDAC1HDAC6
SCHEMBL14637530 0.81 MAPT (0.55) MAPTHDAC3CYP2C9HDAC1HDAC6
SCHEMBL1653169 0.76 MAPT (0.52) MAPTHDAC3CYP2C9HDAC1HDAC6
SCHEMBL10040553 0.75 MAPT (0.51) MAPTHDAC3CYP2C9HDAC1HDAC6
SCHEMBL10040554 0.75 MAPT (0.49) MAPTHDAC3CYP2C9HDAC1HDAC6
SCHEMBL10040552 0.75 MAPT (0.53) MAPTHDAC3CYP2C9HDAC1HDAC6
SCHEMBL27968848 0.75 MAPT (0.50) MAPTHDAC3CYP2C9HDAC1HDAC6
SCHEMBL12049758 0.74 GRM5 (0.54) MAPTGRM5
SCHEMBL14834079 0.74 HSD11B1 (0.60) MGLL
SCHEMBL14637620 0.73 TNKS (0.54) MAPTHDAC3CYP2C9HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576507-B1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2017-04-05 EP disclosed
US-8835418-B2 Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2014-09-16 US disclosed
US-20130165422-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2013-06-27 US disclosed
EP-2576507-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2013-04-10 EP disclosed
WO-2011151808-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2011-12-08 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-20130165422-A1 HEXAFLUOROISOPROPYL CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION F7, MGMT, CA13 MAPT 3224/4885HDAC3 260/4885CYP2C9 2463/4885

“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.