Sugi Predict

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SCHEMBL1147280

SCHEMBL1147280

CC(C)(C)c1ccc(NC(=O)C2(O)CCN(S(=O)(=O)c3ccc(Cl)cc3F)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 7/20 0.47
▸ CNR2 P34972 6/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ F13A1 P00488 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ TGM1 P22735 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL1147368 0.90 MAPT (0.43) ALDH1A1MAPTMEN1KMT2AEPHX2
SCHEMBL1147084 0.86 NPC1 (0.49) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL1146710 0.86 CHRNB2 (0.50) ALDH1A1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL15387513 0.86 ALDH1A1 (0.49) ALDH1A1MAPTCNR2MEN1KMT2A
SCHEMBL1146726 0.83 EPHX2 (0.51) ALDH1A1MAPTCNR2MEN1KMT2A
SCHEMBL1147337 0.83 FAAH (0.52) MAPTMEN1KMT2AEPHX2GAA
SCHEMBL1147370 0.81 MAPT (0.52) ALDH1A1MAPTCNR2MEN1KMT2A
SCHEMBL1147386 0.79 KDM4E (0.53) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL1147278 0.79 MAPT (0.50) ALDH1A1MAPTCNR2MEN1KMT2A
SCHEMBL11888826 0.79 ALDH1A1 (0.62) ALDH1A1MAPTCNR2MEN1KMT2A

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 45/4885MAPT 2319/4885CNR2 151/4885

“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.