SCHEMBL13229554

SCHEMBL13229554

O=S(=O)(c1ccccc1)N1CC2OC2C1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.53
ALDH1A1 P00352 5/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 2/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
PKM P14618 2/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL924544 0.81 PKM (0.58) ALDH1A1POLBKMT2AMEN1PKM
SCHEMBL11835973 0.81 ALDH1A1 (0.52) CYP2C9ALDH1A1L3MBTL1TP53POLB
SCHEMBL12207380 0.80 CYP2C9 (0.57) CYP2C9ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL11776237 0.79 CYP2C9 (0.52) CYP2C9ALDH1A1L3MBTL1TP53POLB
SCHEMBL2970095 0.79 POLB (0.49) CYP2C9ALDH1A1L3MBTL1TP53POLB
SCHEMBL4776900 0.79 CYP2C9 (0.47) CYP2C9ALDH1A1L3MBTL1TP53POLB
SCHEMBL2967842 0.79 POLB (0.49) CYP2C9ALDH1A1L3MBTL1TP53POLB
SCHEMBL2970096 0.79 POLB (0.49) CYP2C9ALDH1A1L3MBTL1TP53POLB
SCHEMBL3646665 0.78 CYP2C9 (0.55) CYP2C9ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL13007126 0.78 L3MBTL1 (0.61) CYP2C9ALDH1A1L3MBTL1TP53POLB

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-20100168093-A1 SUBSTITUTED 3-AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DE DR. ESTEVE, S.A. (ES) 2010-07-01 US disclosed
US-20100168093-A1 SUBSTITUTED 3-AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIES DE DR. ESTEVE, S.A. (ES) 2010-07-01 US disclosed
WO-2007128460-A1 SUBSTITUTED 3 -AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-15 WO disclosed
EP-1849781-A1 Substituted 3-Amino-4-hydroxy pyrrolidines compounds, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2007-10-31 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-20100168093-A1 SUBSTITUTED 3-AMINO-4 -HYDROXY PYRROLIDINES COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS PAH, HMBS, P4HA1 CYP2C9 570/4885ALDH1A1 507/4885L3MBTL1 4778/4885

“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.