SCHEMBL1147173

SCHEMBL1147173

Cc1ccccc1S(=O)(=O)N1CCC(O)(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.55
LIPE Q05469 5/20 0.52
TP53 P04637 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
IDH1 O75874 1/20 0.47
EPHX1 P07099 2/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
P2RY1 P47900 2/20 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
SCHEMBL1147161 0.89 CHRNB2 (0.51) EPHX2LIPETP53EPHX1MAPT
SCHEMBL1147307 0.89 LIPE (0.59) EPHX2LIPETP53MAPTSMN1; SMN2
SCHEMBL1146846 0.88 KMT2A (0.50) EPHX2LIPETP53MEN1KMT2A
SCHEMBL15387686 0.87 EPHX2 (0.53) EPHX2LIPETP53MEN1MAPK1
SCHEMBL1147162 0.85 HSD11B1 (0.46) EPHX2TP53MAPT
SCHEMBL1147254 0.84 EPHX2 (0.65) EPHX2LIPETP53MEN1MAPK1
SCHEMBL1147336 0.82 LIPE (0.46) EPHX2LIPEMEN1KMT2AEPHX1
SCHEMBL1146754 0.81 EPHX2 (0.53) EPHX2LIPETP53MEN1MAPK1
SCHEMBL12085011 0.80 LIPE (0.58) EPHX2LIPETP53MEN1MAPK1
SCHEMBL1146987 0.80 MAPT (0.68) EPHX2LIPETP53MEN1KMT2A

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 EPHX2 3415/4885LIPE 4188/4885TP53 1927/4885

“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.