SCHEMBL641235

SCHEMBL641235

COC(CC(CCCCNCc1ccc(C)o1)C(=O)NO)c1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.74
CYP2D6 P10635 2/20 0.74
MMP9 P14780 2/20 0.74
MMP12 P39900 2/20 0.74
KCNH2 Q12809 2/20 0.74
MMP3 P08254 1/20 0.62

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
SCHEMBL641234 1.00 MMP1 (0.74) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL639348 0.85 CYP2D6 (1.00) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL639349 0.85 CYP2D6 (1.00) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL640810 0.81 MMP1 (0.74) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL640809 0.81 MMP1 (0.74) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL639666 0.81 CYP2D6 (0.82) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL639667 0.81 CYP2D6 (0.82) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL641626 0.81 MMP1 (0.83) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL641625 0.81 MMP1 (0.83) MMP1CYP2D6MMP9MMP12KCNH2
SCHEMBL642532 0.81 MMP1 (0.83) MMP1CYP2D6MMP9MMP12KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119692-B2 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-02-21 US disclosed
US-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2010-11-11 US disclosed
WO-2009008920-A2 HYDROXAMIC ACID DERIVATIVES OF 4-PHENYL 4-HYDROXY, 4-PHENYL 4-ALKOXY AND 4-PHENYL 4-ARYLALKOXY BUTYRIC ACID USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARMA, LLC. (US) 2009-01-15 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-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning ANTXR2, ABAT, BAX MMP1 3223/4885CYP2D6 475/4885MMP9 3139/4885

“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.