SCHEMBL1493760

SCHEMBL1493760

O=S(=O)(ON1CCCC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 3/20 0.44
HTR6 P50406 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3747944 0.98 L3MBTL1 (0.57) PARLL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL28177660 0.96 PARL (0.56) PARLL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL3286704 0.92 PARL (0.60) PARLL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL9517665 0.83 TSHR (0.51) PARLL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL1589535 0.83 PARL (0.51) PARLL3MBTL1ALDH1A1KDM4EHPGD
Water SCHEMBL27582516 0.82 PARL (0.50) PARLL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL29139490 0.81 PARL (0.54) PARLL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL2531424 0.81 VDR (0.51) L3MBTL1ALDH1A1KDM4EHPGDMAPT
SCHEMBL3408471 0.81 LMNA (0.47) PARLL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL27630329 0.80 PARL (0.49) PARLL3MBTL1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101395131-B Method for producing aminoacetylpyrrolidinecarbonitrile derivative and production intermediate thereof KYORIN SEIYAKU KK 2012-11-14 CN disclosed
US-7915427-B2 Process for producing aminoacetyl pyrrolidine carbonitrile derivative and intermediate for production thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2011-03-29 US disclosed
CN-101911229-A Electric double layer capacitor SHOWA DENKO KK 2010-12-08 CN disclosed
US-20100296226-A1 ELECTRIC DOUBLE LAYER CAPACITOR SHOWA DENKO K.K. (JP) 2010-11-25 US disclosed
CN-101395131-A Method for producing aminoacetylpyrrolidinecarbonitrile derivative and production intermediate thereof KYORIN SEIYAKU KK (JP) 2009-03-25 CN disclosed
US-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2009-02-19 US disclosed
EP-1995237-A1 METHOD FOR PRODUCING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE AND PRODUCTION INTERMEDIATE THEREOF Kyorin Pharmaceutical Co., Ltd. (JP) 2008-11-26 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-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof CBR3, CPS1, CBR1 PARL 4509/4885L3MBTL1 4153/4885ALDH1A1 375/4885

“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.