SCHEMBL4347972

SCHEMBL4347972

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nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.35
SLC7A5 Q01650 2/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
GABRR1 P24046 2/20 0.31
RNPEP Q9H4A4 1/20 0.31
CYP1A2 P05177 1/20 0.31
OR51E2 Q9H255 1/20 0.31

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
SCHEMBL4351614 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL27849374 1.00 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL5084435 0.84 TDP1 (0.43) SLC1A3SLC1A2SLC1A1TDP1OR51E2
SCHEMBL27833944 0.83 TP53 (0.39) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL2035309 0.82 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL6871010 0.82 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL2031190 0.82 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL2031192 0.82 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL8101229 0.82 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1TDP1TP53
SCHEMBL2035310 0.82 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102432466-B Preparation method of aliskiren intermediate WUHAN WUYAO PHARMACEUTICAL CO LTD 2013-10-16 CN claimed
CN-102432466-A Preparation method of aliskiren intermediate WUHAN WUYAO PHARMACEUTICAL CO LTD 2012-05-02 CN claimed
CN-102432466-B Preparation method of aliskiren intermediate WUHAN WUYAO PHARMACEUTICAL CO LTD 2013-10-16 CN disclosed
CN-102432466-B Preparation method of aliskiren intermediate WUHAN WUYAO PHARMACEUTICAL CO LTD 2013-10-16 CN disclosed
CN-102432466-A Preparation method of aliskiren intermediate WUHAN WUYAO PHARMACEUTICAL CO LTD 2012-05-02 CN disclosed
CN-102432466-A Preparation method of aliskiren intermediate WUHAN WUYAO PHARMACEUTICAL CO LTD 2012-05-02 CN disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20050159460-A1 Peptide isosteres containing a heterocycle useful in the treatment of alzheimer's disease ELAN PHARMACEUTICALS 2005-07-21 US disclosed
EP-1450795-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
WO-2003047576-A1 PEPTIDE ISOSTERES CONTAINING A HETEROCYCLE USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-06-12 WO disclosed
EP-0603309-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-29 EP disclosed
WO-1993005026-A1 PEPTIDE ISOTERS CONTAINING A HETEROCYCLE AS H.I.V. INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-18 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 (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-20050159460-A1 Peptide isosteres containing a heterocycle useful in the treatment of alzheimer's disease BACE1, APP, BACE2 SLC1A3 2600/4885SLC1A2 2509/4885SLC1A1 2670/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT SLC1A3 4128/4885SLC1A2 4266/4885SLC1A1 4064/4885

“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.