SCHEMBL5709642

SCHEMBL5709642

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nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.38
FCER2 P06734 1/20 0.38
CTSC P53634 1/20 0.36
MMP2 P08253 8/20 0.36
MMP3 P08254 5/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB5 P28074 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
REN P00797 2/20 0.35
METAP2 P50579 1/20 0.34

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
SCHEMBL5709577 0.92 MMP1 (0.38) MMP1FCER2CTSCMMP2MMP3
SCHEMBL7322599 0.90 MMP1 (0.39) MMP1FCER2MMP2MMP3MMP9
SCHEMBL9556170 0.89 MMP1 (0.39) MMP1FCER2CTSCMMP2MMP3
SCHEMBL9556449 0.86 MMP1 (0.38) MMP1FCER2CTSCMMP2MMP3
SCHEMBL5709641 0.80 LTB4R (0.41)
SCHEMBL5709644 0.77 CTSS (0.35) MMP1FCER2MMP2MMP3MMP9
SCHEMBL7322606 0.77 CTSS (0.40) MMP1FCER2MMP2MMP3MMP12
SCHEMBL6349082 0.76 KDM4E (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6350291 0.74 CTSS (0.36) MMP1MMP2MMP3MMP9MMP14
SCHEMBL9556477 0.73 UTS2R (0.36) MMP1FCER2CTSCMMP2MMP3

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-1712227-A1 Amino diols useful in the treatment of Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-10-18 EP claimed
EP-1448177-A1 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP claimed
WO-2003043618-A2 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO claimed
EP-1712227-A1 Amino diols useful in the treatment of Alzheimer's disease Elan Pharmaceuticals, Inc. (US) 2006-10-18 EP disclosed
US-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease SCHOSTAREZ HEINRICH J (US) 2005-04-14 US disclosed
EP-1448177-A1 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP disclosed
WO-2003043618-A2 AMINO DIOLS USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
US-5229420-A Renin inhibitor G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-4900746-A RENIN INHIBITORS G. D. SEARLE & CO. (US) 1990-02-13 US disclosed
WO-1990000051-A1 ETHEREAL N-TERMINAL AMINODIOL AMINO ACID DERIVATIVES AS ANTI-HYPERTENSIVE AGENTS G.D. SEARLE & CO. (US) 1990-01-11 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-20050080141-A1 Amino diols useful in the treatment of alzheimer's disease BACE1, BACE2, APP MMP1 636/4885FCER2 4005/4885CTSC 125/4885

“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.