SCHEMBL22367383

SCHEMBL22367383

COc1ccc(CN2CCN(C(=O)O)CC(COS(C)(=O)=O)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP1 P03956 2/20 0.41
MMP13 P45452 1/20 0.41
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FAAH O00519 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HDAC1 Q13547 2/20 0.39
GRM2 Q14416 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL29967257 0.88 MMP1 (0.48) ALDH1A1L3MBTL1MMP1MMP13MMP3
SCHEMBL22367341 0.85 ALDH1A1 (0.47) ALDH1A1L3MBTL1MMP1MMP13SMN1; SMN2
SCHEMBL22367263 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1MMP1MMP13SMN1; SMN2
SCHEMBL22367260 0.74 CHRM5 (0.44) ALDH1A1L3MBTL1MMP1MMP13MMP3
SCHEMBL29967447 0.72 ALDH1A1 (0.48) ALDH1A1L3MBTL1MMP1MMP13MMP3
SCHEMBL16365463 0.72 TNKS (0.56)
SCHEMBL22367284 0.72 GAA (0.51) ALDH1A1L3MBTL1MMP1MMP13MMP2
SCHEMBL28449394 0.72 SIRT2 (0.44) ALDH1A1L3MBTL1MMP1MMP13SMN1; SMN2
SCHEMBL29584483 0.70 MEN1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL18586063 0.70 MEN1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700890-B1 ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS SA (ES) 2021-11-17 EP disclosed
US-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-24 US disclosed
EP-3700890-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-09-02 EP 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-20200299297-A1 NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS CACNA1B, CACNB2, CACNA1G ALDH1A1 771/4885L3MBTL1 4607/4885MMP1 3888/4885

“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.