SCHEMBL1147175

SCHEMBL1147175

COc1ccc(OC)c(S(=O)(=O)N2CCC(O)(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 5/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1146720 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1CYP1A2CYP3A4
SCHEMBL1146709 0.90 KMT2A (0.55) ALDH1A1SMN1; SMN2MAPK1KMT2ATSHR
SCHEMBL1147386 0.90 KDM4E (0.53) ALDH1A1SMN1; SMN2MAPK1KMT2ATSHR
SCHEMBL1146975 0.87 MAPT (0.48) ALDH1A1SMN1; SMN2MAPK1CYP1A2CYP3A4
SCHEMBL15387658 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1CYP1A2CYP3A4
SCHEMBL1147276 0.86 KMT2A (0.57) ALDH1A1SMN1; SMN2CYP1A2CYP3A4KMT2A
SCHEMBL1147346 0.81 NAMPT (0.50) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL11888830 0.80 KMT2A (0.62) ALDH1A1SMN1; SMN2MAPK1CYP1A2CYP3A4
SCHEMBL15387802 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPK1CYP1A2CYP3A4
SCHEMBL1147278 0.78 MAPT (0.50) ALDH1A1SMN1; SMN2MAPK1KMT2ATSHR

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 ALDH1A1 45/4885SMN1; SMN2 1445/4885MAPK1 2518/4885

“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.