SCHEMBL492792

SCHEMBL492792

COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2COCC(=O)NCC2CCC(C(c3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.44
PTGIR P43119 2/20 0.41
FAAH O00519 1/20 0.40
ACHE P22303 1/20 0.40
CXCR3 P49682 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
MMP8 P22894 8/20 0.38
MMP3 P08254 4/20 0.38

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
SCHEMBL493267 0.94 MAPT (0.43) TAS2R14PTGIRFAAHACHESMN1; SMN2
SCHEMBL493204 0.93 TAS2R14 (0.41) TAS2R14PTGIRFAAHACHESMN1; SMN2
SCHEMBL493006 0.90 TAS2R14 (0.46) TAS2R14SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL492439 0.90 ALDH1A1 (0.43) TAS2R14PTGIRFAAHACHECXCR3
SCHEMBL492791 0.88 SMN1; SMN2 (0.42) TAS2R14PTGIRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL493329 0.88 MAPT (0.42) TAS2R14SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL492905 0.88 CXCR3 (0.42) TAS2R14PTGIRFAAHACHECXCR3
SCHEMBL492877 0.87 RAB9A (0.47) PTGIRFAAHACHEMMP1MMP13
SCHEMBL493212 0.86 TAS2R14 (0.40) TAS2R14PTGIRSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL493371 0.84 MAPT (0.44) TAS2R14SMN1; SMN2ALDH1A1CYP1A2CYP3A4

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 TAS2R14 1127/4885PTGIR 121/4885FAAH 6/4885

“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.