SCHEMBL2315196

SCHEMBL2315196

CCCCCCOc1ccc(C(=O)OC)cc1NC=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 6/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MGLL Q99685 3/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ THRA P10827 1/20 0.45
▸ THRB P10828 1/20 0.45

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
SCHEMBL20344525 0.91 MAPT (0.50) ALDH1A1HPGDKDM4EL3MBTL1MAPT
SCHEMBL2308150 0.90 ALDH1A1 (0.61) SMPD1ALDH1A1HPGDPTPN11
SCHEMBL9867832 0.85 HDAC6 (0.54) SMPD1ALDH1A1HPGDKDM4EL3MBTL1
SCHEMBL967401 0.83 SMPD1 (0.67) SMPD1ALDH1A1HPGDMGLLPTPN11
SCHEMBL9304902 0.83 SMPD1 (0.67) SMPD1ALDH1A1HPGDMGLLPTPN11
SCHEMBL24950547 0.83 SMPD1 (0.67) SMPD1ALDH1A1HPGDMGLLPTPN11
SCHEMBL9565566 0.83 SMPD1 (0.67) SMPD1ALDH1A1HPGDMGLLPTPN11
SCHEMBL7335792 0.81 SMPD1 (0.64) SMPD1ALDH1A1HPGDMGLLTHRA
SCHEMBL14926460 0.80 MGLL (0.67) SMPD1ALDH1A1HPGDL3MBTL1MGLL
SCHEMBL9307263 0.80 SMPD1 (0.76) SMPD1MGLLMAPTTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 — — EP disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 — — US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 — — US disclosed
EP-1846366-A1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2007-10-24 — — EP disclosed
WO-2006080477-A1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 2006-08-03 — — WO 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-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 SMPD1 3724/4885ALDH1A1 2442/4885HPGD 1808/4885

“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.

Send feedback