SCHEMBL3437183

SCHEMBL3437183

Cc1cc(CC(C)C(=O)NO)cc(C)c1F

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
KCNH2 Q12809 2/20 0.49
HDAC1 Q13547 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL21364654 1.00 CYP2D6 (0.49) CYP2D6KCNH2HDAC1TSHR
SCHEMBL3437194 0.78 CYP2D6 (0.46) CYP2D6KCNH2
SCHEMBL3436926 0.77 CYP2D6 (0.65) CYP2D6KCNH2
SCHEMBL3437198 0.77 CYP2D6 (0.65) CYP2D6KCNH2
SCHEMBL3437071 0.76 CYP2D6 (0.64) CYP2D6KCNH2
SCHEMBL3437076 0.75 CYP2D6 (0.47) CYP2D6KCNH2
SCHEMBL3436883 0.75 CYP2D6 (0.47) CYP2D6KCNH2
SCHEMBL3437200 0.75 CYP2D6 (0.47) CYP2D6KCNH2
SCHEMBL21364546 0.73 CYP2D6 (0.70) CYP2D6KCNH2
SCHEMBL3436928 0.72 CYP2D6 (0.56) CYP2D6KCNH2

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
US-8242174-B2 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-08-14 US disclosed
US-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2012-06-21 US disclosed
US-7807720-B2 Hydroxamic acid derivatives of 3-phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC (US) 2010-10-05 US disclosed
US-7807720-B2 Hydroxamic acid derivatives of 3-phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC (US) 2010-10-05 US disclosed
US-7807720-B2 Hydroxamic acid derivatives of 3-phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC (US) 2010-10-05 US disclosed
WO-2008147480-A2 HYDROXAMIC ACID DERIVATIVES OF 3-PHENYL PROPIONIC ACIDS USEFUL AS THRAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARNA, LLC. (US) 2008-12-04 WO disclosed
WO-2008147480-A2 HYDROXAMIC ACID DERIVATIVES OF 3-PHENYL PROPIONIC ACIDS USEFUL AS THRAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARNA, LLC. (US) 2008-12-04 WO disclosed
US-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PAN THERA BIOPHARMA,LLC 2008-08-07 US disclosed
US-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PAN THERA BIOPHARMA,LLC 2008-08-07 US disclosed
US-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning PAN THERA BIOPHARMA,LLC 2008-08-07 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 (2 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-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning ANTXR2, AGXT, AADAC CYP2D6 941/4885KCNH2 3164/4885HDAC1 60/4885
US-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning ANTXR2, PAOX, AGXT CYP2D6 1351/4885KCNH2 3321/4885HDAC1 410/4885

“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.