SCHEMBL1147276

SCHEMBL1147276

COc1ccc(S(=O)(=O)N2CCC(O)(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 5/20 0.57
GAA P10253 1/20 0.57
RAB9A P51151 1/20 0.57
HSD11B1 P28845 3/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
CYP3A4 P08684 3/20 0.54
USP2 O75604 3/20 0.54
CYP2D6 P10635 2/20 0.54
CYP1A2 P05177 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
TRPV4 Q9HBA0 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 2/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL1147136 0.88 HSD11B1 (0.55) KMT2AALDH1A1GAAHSD11B1MAPT
SCHEMBL1147175 0.86 ALDH1A1 (0.52) KMT2AALDH1A1MAPTMEN1CYP3A4
SCHEMBL1146720 0.86 ALDH1A1 (0.47) KMT2AALDH1A1GAARAB9AMAPT
SCHEMBL15387467 0.86 ALDH1A1 (0.58) KMT2AALDH1A1GAARAB9AHSD11B1
SCHEMBL1147302 0.85 ALDH1A1 (0.63) KMT2AALDH1A1GAARAB9AMAPT
SCHEMBL1146975 0.82 MAPT (0.48) KMT2AALDH1A1GAAHSD11B1MAPT
SCHEMBL1146709 0.80 KMT2A (0.55) KMT2AALDH1A1GAARAB9AMAPT
SCHEMBL1147386 0.79 KDM4E (0.53) KMT2AALDH1A1GAAMAPTMEN1
SCHEMBL1146218 0.79 HSD11B1 (0.44) KMT2AHSD11B1MAPTMEN1TRPV4
SCHEMBL1147162 0.79 HSD11B1 (0.46) HSD11B1MAPTTRPV4

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 9 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
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 KMT2A 1526/4885ALDH1A1 45/4885GAA 1870/4885

“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.