SCHEMBL5709644

SCHEMBL5709644

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nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MMP2 P08253 12/20 0.35
MMP3 P08254 6/20 0.35
MMP1 P03956 2/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
FCER2 P06734 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
REN P00797 1/20 0.33
PSMB8 P28062 1/20 0.33
PSMB5 P28074 1/20 0.33

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
SCHEMBL5709581 0.93 CTSS (0.35) CTSSCTSKMMP2MMP3MMP1
SCHEMBL9556176 0.90 MMP2 (0.35) CTSSCTSKMMP2MMP3MMP1
SCHEMBL9556465 0.87 MMP2 (0.33) CTSSCTSKMMP2MMP3MMP1
SCHEMBL7322606 0.87 CTSS (0.40) CTSSCTSKMMP2MMP3MMP1
SCHEMBL6349373 0.80 HRH4 (0.34) MMP2MMP3
SCHEMBL5709641 0.78 LTB4R (0.41)
SCHEMBL5709642 0.77 MMP1 (0.38) CTSSCTSKMMP2MMP3MMP1
SCHEMBL7322599 0.77 MMP1 (0.39) MMP2MMP3MMP1MMP9MMP14
SCHEMBL9555901 0.75 CTSK (0.46) CTSSCTSKMMP2MMP3MMP1
SCHEMBL5709603 0.74 CTSS (0.39) CTSSCTSKMMP2MMP3MMP1

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 6 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-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
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 CTSS 127/4885CTSK 551/4885MMP2 369/4885

“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.