SCHEMBL3437047

SCHEMBL3437047

CC(C)(C)OC(=O)NCCCc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
POLB P06746 2/20 0.56
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SIGMAR1 Q99720 2/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NAMPT P43490 1/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL14326995 0.91 CA2 (0.55) GAAPOLBCA1CA2NPC1
SCHEMBL19301016 0.87 GAA (0.48) GAAPOLBCA1CA2NPC1
SCHEMBL22996211 0.87 CA1 (0.54) GAAPOLBCA1CA2NPC1
SCHEMBL22996206 0.87 CA1 (0.54) GAAPOLBCA1CA2TDP1
SCHEMBL7465537 0.87 ESRRG (0.58) GAAPOLBCA1CA2TDP1
SCHEMBL21077910 0.85 DRD2 (0.55) GAACA1CA2TDP1SIGMAR1
SCHEMBL8381122 0.85 CA1 (0.53) GAAPOLBCA1CA2TDP1
SCHEMBL4039313 0.85 CA1 (0.56) GAAPOLBCA1CA2TDP1
SCHEMBL2551512 0.85 CA1 (0.53) GAAPOLBCA1CA2NPC1
SCHEMBL6833896 0.85 CA1 (0.53) GAAPOLBCA1CA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015142001-A2 COMPOUND HAVING CARDIOTONIC ACTIVITY AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING HEART FAILURE, CONTAINING SAME 충남대학교산학협력단 2015-09-24 WO 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

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-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning ANTXR2, PAOX, AGXT GAA 331/4885POLB 3056/4885CA1 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.