Sugi Predict

Sugi Predict / Compounds / SCHEMBL1146846

SCHEMBL1146846

SCHEMBL1146846

O=C(Nc1ccc(OC(F)(F)F)cc1)C1(O)CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ LIPE Q05469 5/20 0.49
▸ EPHX2 P34913 3/20 0.48
▸ PKM P14618 1/20 0.46
▸ MMP2 P08253 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ EPHX1 P07099 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.43

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) LIPEEPHX2PKMMMP2MMP13
SCHEMBL1147307 0.89 LIPE (0.59) LIPEEPHX2PKMMMP2MMP13
SCHEMBL1147173 0.88 EPHX2 (0.55) KMT2AMEN1LIPEEPHX2PKM
SCHEMBL15387477 0.87 KMT2A (0.48) KMT2AMEN1LIPEEPHX2PKM
SCHEMBL1147400 0.81 KMT2A (0.48) KMT2AMEN1LIPEEPHX2MMP2
SCHEMBL1146987 0.80 MAPT (0.68) KMT2AMEN1LIPEEPHX2PKM
SCHEMBL1147254 0.80 EPHX2 (0.65) KMT2AMEN1LIPEEPHX2PKM
SCHEMBL12084988 0.79 LIPE (0.59) LIPEEPHX2PKMMMP2MMP13
SCHEMBL1146754 0.79 EPHX2 (0.53) KMT2AMEN1LIPEEPHX2PKM
SCHEMBL1147272 0.78 LIPE (0.58) LIPEEPHX2PKMMMP2MMP13

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 1526/4885MEN1 2306/4885LIPE 4188/4885

“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.