SCHEMBL493349

SCHEMBL493349

COc1ccc(S(=O)(=O)N(C)CCOCC(=O)NCCC2CCC(C(c3cccc(F)c3)N(C)C)CC2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BDKRB1 P46663 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL492854 0.92 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL493303 0.91 ALDH1A1 (0.39) ALDH1A1KMT2ABDKRB1L3MBTL1SMN1; SMN2
SCHEMBL493166 0.91 KMT2A (0.37) ALDH1A1KMT2AMEN1BDKRB1HTT
SCHEMBL492803 0.90 SMN1; SMN2 (0.36) ALDH1A1KMT2AMEN1BDKRB1SMN1; SMN2
SCHEMBL492914 0.89 OPRL1 (0.37) ALDH1A1KMT2AMAPTMEN1BDKRB1
SCHEMBL492490 0.88 MAPT (0.39) ALDH1A1KMT2AMAPTMEN1CYP3A4
SCHEMBL493170 0.88 LMNA (0.39) KMT2AMAPTCYP3A4BDKRB1SMN1; SMN2
SCHEMBL493849 0.88 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTMEN1TSHR
SCHEMBL492810 0.87 OPRM1 (0.41) MAPTBDKRB1L3MBTL1HTTSMN1; SMN2
SCHEMBL493671 0.87 BDKRB1 (0.41) BDKRB1

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 4 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 1349/4885KMT2A 1749/4885MAPT 1653/4885

“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.