SCHEMBL20132828

SCHEMBL20132828

CCOC(=O)C(O)[C@@H](C=O)CCOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTSB P07858 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 1/20 0.39
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CTSK P43235 1/20 0.39
HTT P42858 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
SCHEMBL20132790 1.00 LMNA (0.45) LMNAL3MBTL1CTSBNR1H4TDP1
SCHEMBL20128491 0.85 CTSB (0.43) CTSBSMN1; SMN2CYP2C19ALDH1A1HTT
SCHEMBL20128499 0.85 CTSB (0.43) CTSBSMN1; SMN2CYP2C19ALDH1A1HTT
SCHEMBL27707724 0.80 L3MBTL1 (0.52) LMNAL3MBTL1TDP1SMN1; SMN2MMP8
SCHEMBL7910564 0.80 LMNA (0.42) LMNAL3MBTL1NR1H4TDP1SMN1; SMN2
SCHEMBL900165 0.79 TDP1 (0.57) LMNAL3MBTL1TDP1SMN1; SMN2MMP8
SCHEMBL20132791 0.79 HPRT1 (0.42) LMNAL3MBTL1TDP1SMN1; SMN2CYP2C19
SCHEMBL20132829 0.79 HPRT1 (0.42) LMNAL3MBTL1TDP1SMN1; SMN2CYP2C19
SCHEMBL23620881 0.78 L3MBTL1 (0.51) LMNAL3MBTL1NR1H4TDP1SMN1; SMN2
SCHEMBL20180712 0.78 L3MBTL1 (0.51) LMNAL3MBTL1NR1H4TDP1SMN1; 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-10040760-B2 Pyrrolidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20180127364-A1 PYRROLIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-10 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 (2 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-20180127364-A1 PYRROLIDINE COMPOUND CAT, POLI, PPOX LMNA 4051/4885L3MBTL1 4632/4885CTSB 387/4885
US-10040760-B2 Pyrrolidine compound CAT, POLI, PPOX LMNA 4051/4885L3MBTL1 4632/4885CTSB 387/4885

“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.