SCHEMBL6444647

SCHEMBL6444647

COC(CNC(=O)C([C]=O)Cc1cccc2ccccc12)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MMP9 P14780 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41
CTNNB1 P35222 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MME P08473 1/20 0.40
ACE P12821 1/20 0.40
CPA1 P15085 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
MTNR1A P48039 1/20 0.40
REN P00797 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL6447032 0.83 MMP9 (0.44) CTSSCTSKMMP9SMN1; SMN2ATM
SCHEMBL9668155 0.83 CTNNB1 (0.52) CTSSCTSKMMP9SMN1; SMN2ATM
SCHEMBL10389693 0.83 CTNNB1 (0.52) CTSSCTSKMMP9SMN1; SMN2ATM
SCHEMBL9668142 0.83 CTNNB1 (0.52) CTSSCTSKMMP9SMN1; SMN2ATM
SCHEMBL6444804 0.82 SMN1; SMN2 (0.48) CTSSCTSKMMP9SMN1; SMN2ATM
SCHEMBL10390131 0.81 ATM (0.48) CTSSCTSKMMP9ATMCTNNB1
SCHEMBL9667010 0.80 CTNNB1 (0.48) CTSSCTSKMMP9CTNNB1KDM4E
SCHEMBL6442862 0.79 MMP9 (0.44) CTSSCTSKMMP9CTNNB1MTNR1A
SCHEMBL9665194 0.78 CTSS (0.47) CTSSCTSKMMP9CTNNB1TDP1
SCHEMBL6444688 0.78 CTSS (0.47) CTSSCTSKMMP9CTNNB1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0184550-B1 5-AMINO-4-HYDROXY VALERYL AMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1992-03-18 EP disclosed
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CTSS 82/4885CTSK 92/4885MMP9 26/4885

“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.