Sugi Predict

Sugi Predict / Compounds / SCHEMBL492498

SCHEMBL492498

SCHEMBL492498

CN(C)C(c1cccs1)C1CCC(CNC(=O)COCCN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 1/20 0.42
▸ BDKRB1 P46663 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ MMP12 P39900 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ SPPL2B Q8TCT7 1/20 0.34
▸ SPPL2A Q8TCT8 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL493244 0.94 BDKRB1 (0.40) CXCR3BDKRB1ALDH1A1PKMMAPT
SCHEMBL492638 0.91 ALDH1A1 (0.45) CXCR3ALDH1A1PKMTP53LMNA
SCHEMBL492497 0.90 MEN1 (0.36) ALDH1A1PKMMAPTSMN1; SMN2TP53
SCHEMBL493028 0.90 L3MBTL1 (0.42) BDKRB1ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL493577 0.90 POLB (0.41) ALDH1A1PKMSMN1; SMN2LMNAHTT
SCHEMBL492401 0.89 POLB (0.40) CXCR3ALDH1A1PKMMAPTSMN1; SMN2
SCHEMBL492782 0.88 CXCR3 (0.47) CXCR3BDKRB1ALDH1A1MMP12MAPT
SCHEMBL492699 0.86 PTGIR (0.38) ALDH1A1MAPTSMN1; SMN2TP53LMNA
SCHEMBL493086 0.86 BDKRB1 (0.42) CXCR3BDKRB1MMP12MAPTSMN1; SMN2
SCHEMBL492874 0.85 BDKRB1 (0.42) CXCR3BDKRB1ALDH1A1PKMMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 — — US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 — — EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 — — US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 — — WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 — — US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 — — EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 — — US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 — — 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CXCR3 4458/4885BDKRB1 1622/4885ALDH1A1 1349/4885

“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.