SCHEMBL492958

SCHEMBL492958

COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2COCC(=O)NC2CCC(C(c3cccs3)N(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.41
MMP1 P03956 5/20 0.40
MMP9 P14780 5/20 0.40
MMP13 P45452 5/20 0.40
ADAM17 P78536 5/20 0.40
MMP8 P22894 7/20 0.38
MMP3 P08254 4/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL492439 0.91 ALDH1A1 (0.43) ALDH1A1PKMSMN1; SMN2CYP1A2CYP3A4
SCHEMBL493006 0.89 TAS2R14 (0.46) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL492787 0.89 ALDH1A1 (0.43) ALDH1A1PKMSMN1; SMN2CYP1A2CYP3A4
SCHEMBL492604 0.87 ALDH1A1 (0.47) ALDH1A1PKMCYP3A4CYP2C19MMP1
SCHEMBL493371 0.87 MAPT (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL492883 0.87 ALDH1A1 (0.46) ALDH1A1PKMSMN1; SMN2MMP1MMP13
SCHEMBL492819 0.81 ALDH1A1 (0.47) ALDH1A1PKMMMP1MMP13MMP3
SCHEMBL492792 0.80 TAS2R14 (0.44) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL492541 0.80 ALDH1A1 (0.45) ALDH1A1PKMCYP1A2CYP3A4CYP2D6
SCHEMBL643096 0.79 ALDH1A1 (0.46) ALDH1A1PKMSMN1; SMN2TAS2R14MMP1

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 ALDH1A1 1349/4885PKM 1161/4885SMN1; SMN2 1729/4885

“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.