SCHEMBL29889702

SCHEMBL29889702

C[C@H]1CCN1C(=O)CC1(O)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL29889465 1.00 SMYD3 (0.40) SMYD3SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL29889771 1.00 SMYD3 (0.40) SMYD3SMN1; SMN2HPGDKDM4ELMNA
SCHEMBL29889532 0.74 LMNA (0.39) HPGDKDM4ELMNARAB9AALDH1A1
SCHEMBL29889371 0.71 BPTF (0.43) SMN1; SMN2LMNAALDH1A1NPSR1L3MBTL1
SCHEMBL29889649 0.70 BPTF (0.42) SMN1; SMN2KDM4ELMNAALDH1A1NPSR1
SCHEMBL1968142 0.68 KDM4E (0.43) KDM4E
SCHEMBL20470740 0.68
SCHEMBL1633351 0.68
SCHEMBL11844189 0.66
SCHEMBL27398094 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306674-A1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-29 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-20220306674-A1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 SMYD3 3772/4885SMN1; SMN2 4096/4885HPGD 3334/4885

“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.