SCHEMBL1147302

SCHEMBL1147302

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.63
LMNA P02545 2/20 0.63
TP53 P04637 1/20 0.55
KMT2A Q03164 9/20 0.54
GAA P10253 3/20 0.54
RAB9A P51151 2/20 0.54
CYP3A4 P08684 2/20 0.54
USP2 O75604 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 4/20 0.54
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 5/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RECQL P46063 1/20 0.51

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
SCHEMBL1147298 0.88 RAB9A (0.61) ALDH1A1LMNATP53KMT2AGAA
SCHEMBL15387580 0.86 ALDH1A1 (0.61) ALDH1A1LMNATP53KMT2AGAA
SCHEMBL1147276 0.85 KMT2A (0.57) ALDH1A1LMNAKMT2AGAARAB9A
SCHEMBL1146990 0.81 KMT2A (0.52) ALDH1A1LMNAKMT2AGAACYP3A4
SCHEMBL1147213 0.80 KMT2A (0.57) ALDH1A1LMNATP53KMT2AGAA
Hydrochloric Acid SCHEMBL1146736 0.79 KMT2A (0.56) ALDH1A1LMNATP53KMT2AGAA
SCHEMBL1146763 0.79 FAAH (0.52) ALDH1A1LMNATP53KMT2ARAB9A
SCHEMBL16457300 0.78 ALDH1A1 (0.62) ALDH1A1LMNATP53KMT2AGAA
SCHEMBL11888962 0.77 PKM (0.65) ALDH1A1LMNAKMT2ARAB9ACYP3A4
SCHEMBL1146069 0.77 RAB9A (0.60) ALDH1A1LMNATP53KMT2AGAA

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 45/4885LMNA 2843/4885TP53 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.