SCHEMBL640292

SCHEMBL640292

CO[C@H](C[C@H](CCCCNCc1cccc(-c2ccc(F)cc2)c1)C(=O)NO)c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.78
KCNH2 Q12809 3/20 0.78
MMP1 P03956 2/20 0.78
MMP9 P14780 2/20 0.78
MMP12 P39900 2/20 0.78
MMP3 P08254 1/20 0.60

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
SCHEMBL640293 1.00 CYP2D6 (0.78) CYP2D6KCNH2MMP1MMP9MMP12
SCHEMBL639348 0.88 CYP2D6 (1.00) CYP2D6KCNH2MMP1MMP9MMP12
SCHEMBL639349 0.88 CYP2D6 (1.00) CYP2D6KCNH2MMP1MMP9MMP12
SCHEMBL639666 0.85 CYP2D6 (0.82) CYP2D6KCNH2MMP1MMP9MMP12
SCHEMBL639667 0.85 CYP2D6 (0.82) CYP2D6KCNH2MMP1MMP9MMP12
SCHEMBL641248 0.82 CYP2D6 (0.84) CYP2D6KCNH2MMP1MMP9MMP12
SCHEMBL641247 0.82 CYP2D6 (0.84) CYP2D6KCNH2MMP1MMP9MMP12
SCHEMBL640291 0.81 MMP1 (0.57) CYP2D6KCNH2MMP1MMP9MMP12
SCHEMBL641626 0.81 MMP1 (0.83) CYP2D6KCNH2MMP1MMP9MMP12
SCHEMBL641625 0.81 MMP1 (0.83) CYP2D6KCNH2MMP1MMP9MMP12

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 8 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-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-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
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
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
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 CYP2D6 475/4885KCNH2 3086/4885MMP1 3223/4885

“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.