SCHEMBL2712002

SCHEMBL2712002

O=S(=O)(c1cccc2cccnc12)N1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.71
ALDH1A1 P00352 4/20 0.66
GAA P10253 1/20 0.66
CYP3A4 P08684 2/20 0.65
TSHR P16473 2/20 0.65
NFKB1 P19838 1/20 0.65
THPO P40225 1/20 0.65
HIF1A Q16665 1/20 0.65
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.64
BLM P54132 1/20 0.64
KDM4E B2RXH2 1/20 0.60
PRKD3 O94806 1/20 0.60
PRKCG P05129 1/20 0.60
CYP1A2 P05177 1/20 0.60
PRKCB P05771 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
PRKCA P17252 1/20 0.60
PRKACA P17612 1/20 0.60
PRKACG P22612 1/20 0.60

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
Hydrochloric Acid SCHEMBL28345785 0.99 L3MBTL1 (0.69) L3MBTL1ALDH1A1GAACYP3A4TSHR
SCHEMBL5422444 0.87 L3MBTL1 (0.76) L3MBTL1ALDH1A1GAATSHRMAPT
SCHEMBL31684035 0.85 L3MBTL1 (0.74) L3MBTL1ALDH1A1GAATSHRMAPT
SCHEMBL28254885 0.84 L3MBTL1 (0.72) L3MBTL1ALDH1A1GAATSHRMAPT
SCHEMBL12656093 0.84 L3MBTL1 (0.72) L3MBTL1ALDH1A1GAATSHRMAPT
SCHEMBL14183920 0.83 L3MBTL1 (0.71) L3MBTL1ALDH1A1GAATSHRMAPT
SCHEMBL8220064 0.82 L3MBTL1 (0.69) L3MBTL1ALDH1A1GAATSHRMAPT
SCHEMBL26107557 0.81 L3MBTL1 (0.68) L3MBTL1ALDH1A1GAATSHRMAPT
SCHEMBL21910940 0.81 L3MBTL1 (0.60) L3MBTL1ALDH1A1GAATSHRMAPT
SCHEMBL2961832 0.80 ALDH1A1 (1.00) L3MBTL1ALDH1A1GAACYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed
US-20060173056-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2006-08-03 US disclosed
US-7074794-B2 Proline derivatives and the use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-07-11 US disclosed
US-7060722-B2 Proline derivatives and use thereof as drugs MITSUBISHI PHARMA CORPORATION (JP) 2006-06-13 US disclosed
US-20050245538-A1 Proline derivatives and use thereof as drugs KITAJIMA HIROSHI 2005-11-03 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 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 (3 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-20060173056-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 L3MBTL1 2628/4885ALDH1A1 229/4885GAA 403/4885
US-20050245538-A1 Proline derivatives and use thereof as drugs DPP4, DPP3, DPP7 L3MBTL1 2628/4885ALDH1A1 229/4885GAA 403/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 L3MBTL1 2337/4885ALDH1A1 118/4885GAA 660/4885

“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.