SCHEMBL492541

SCHEMBL492541

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
PKM P14618 1/20 0.45
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
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
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL493420 0.91 LMNA (0.38) ALDH1A1PKMHTTPOLBTDP1
SCHEMBL493632 0.91 LMNA (0.37) ALDH1A1PKMHTTPOLBTDP1
SCHEMBL493028 0.91 L3MBTL1 (0.42) ALDH1A1PKMHTTCYP1A2CYP3A4
SCHEMBL492827 0.90 MAPT (0.39) ALDH1A1PKMHTTCYP3A4CYP2D6
SCHEMBL492638 0.89 ALDH1A1 (0.45) ALDH1A1PKMHTTTSHRATM
SCHEMBL493205 0.88 BDKRB1 (0.49) BDKRB1
SCHEMBL493529 0.88 ALDH1A1 (0.44) ALDH1A1PKMHTTTSHRATM
SCHEMBL492817 0.87 CAMK2A (0.40) ALDH1A1HTTPOLBLMNAUSP2
SCHEMBL492731 0.84 BDKRB1 (0.41) ATMBDKRB1
SCHEMBL3806599 0.84 POLB (0.35) ALDH1A1PKMATMCYP1A2CYP3A4

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 1161/4885HTT 3541/4885

“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.