SCHEMBL492985

SCHEMBL492985

[O]CCNCS(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
PSIP1 O75475 1/20 0.48
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HTR6 P50406 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 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
SCHEMBL9703022 0.85 PSIP1 (0.58) MAPTPSIP1ALDH1A1L3MBTL1HSD11B1
SCHEMBL11211587 0.75 ALDH1A1 (0.60) MAPTPSIP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2334382 0.74 MAPT (0.56) MAPTPSIP1ALDH1A1L3MBTL1HSD11B1
SCHEMBL11237701 0.74 ALDH1A1 (0.63) MAPTALDH1A1L3MBTL1HSD11B1SMN1; SMN2
SCHEMBL8940894 0.73 MAPT (0.50) MAPTPSIP1ALDH1A1L3MBTL1HSD11B1
SCHEMBL5128116 0.73 ALDH1A1 (0.49) MAPTPSIP1ALDH1A1L3MBTL1HSD11B1
SCHEMBL2454944 0.72 PSIP1 (0.58) MAPTPSIP1ALDH1A1L3MBTL1HSD11B1
SCHEMBL606282 0.71 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KDM4ELMNAPKM
SCHEMBL2616457 0.71 CA2 (0.59) MAPTPSIP1ALDH1A1L3MBTL1HSD11B1
SCHEMBL3329009 0.71 PSIP1 (0.64) MAPTPSIP1ALDH1A1HSD11B1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 1653/4885PSIP1 3125/4885ALDH1A1 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.