SCHEMBL1146987

SCHEMBL1146987

O=C(Nc1ccc(OC(F)(F)F)cc1)C1(O)CCN(S(=O)(=O)c2cccs2)CC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
TP53 P04637 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LIPE Q05469 1/20 0.47
PKM P14618 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 2/20 0.46
EPHX2 P34913 1/20 0.46
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
ATM Q13315 1/20 0.45
EPHX1 P07099 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL15387652 0.87 MAPT (0.66) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL12874914 0.85 MEN1 (0.52) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL1147161 0.81 CHRNB2 (0.51) MAPTTP53SMN1; SMN2LIPEPKM
SCHEMBL1147307 0.81 LIPE (0.59) MAPTTP53SMN1; SMN2LIPEPKM
SCHEMBL1147412 0.81 MAPT (0.54) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL1147173 0.80 EPHX2 (0.55) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL1146846 0.80 KMT2A (0.50) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL1147254 0.80 EPHX2 (0.65) MAPTTP53MEN1KMT2ALIPE
SCHEMBL1146754 0.77 EPHX2 (0.53) TP53MEN1KMT2ALIPEPKM
SCHEMBL1145927 0.77 EPHX2 (0.50) TP53MEN1KMT2ALIPEPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US claimed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 WO claimed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-8399676-B2 Piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2013-03-19 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
US-20110028515-A1 NEW PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-02-03 US disclosed
WO-2011012602-A1 PIPERIDINE DERIVATIVES AND THEIR USE TO TREAT OBESITY, DIABETES, DYSLIPIDEMIA AND ATHEROSCLEROSIS F. HOFFMANN-LA ROCHE AG (CH) 2011-02-03 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-20110028515-A1 NEW PIPERIDINE DERIVATIVES ADRA1D, ADORA1, H1-0 MAPT 2319/4885TP53 1927/4885SMN1; SMN2 1445/4885

“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.