SCHEMBL3436924

SCHEMBL3436924

Cc1cc(COCCCCCC(=O)N2C(=O)OCC2Cc2ccccc2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 6/20 0.47
▸ PPARA Q07869 3/20 0.38
▸ REN P00797 1/20 0.37
▸ GBA1 P04062 2/20 0.36
▸ LCT P09848 2/20 0.36
▸ UGCG Q16739 2/20 0.36
▸ GBA2 Q9HCG7 2/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ PLA2G2A P14555 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ FAAH O00519 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3436921 1.00 NAAA (0.47) NAAAPPARARENGBA1LCT
SCHEMBL3437063 0.88 NAAA (0.59) NAAAPPARAFAAH
SCHEMBL3437061 0.88 NAAA (0.59) NAAAPPARAFAAH
SCHEMBL8828113 0.87 NAAA (0.54) NAAAPPARAGBA1UGCGGBA2
SCHEMBL14243651 0.86 NAAA (0.52) NAAAPPARAGBA1UGCGGBA2
SCHEMBL6599302 0.86 NAAA (0.52) NAAAPPARAGBA1UGCGGBA2
SCHEMBL14243652 0.86 NAAA (0.52) NAAAPPARAGBA1UGCGGBA2
SCHEMBL17756150 0.83 NAAA (0.50) NAAAPPARAPLA2G1BPLA2G2AEPHX2
SCHEMBL2617344 0.83 NAAA (0.50) NAAAPPARAPLA2G1BPLA2G2AEPHX2
SCHEMBL14243737 0.83 NAAA (0.50) NAAAPPARAPLA2G1BPLA2G2AEPHX2

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 6 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
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
WO-2008094592-A1 HYDROXAMIC ACID DERIVATIVES OF ANILINE USEFUL AS THERAPEUTIC AGENTS FOR TREATING ANTHRAX POISONING PANTHERA BIOPHARNA, LLC (US) 2008-08-07 — — 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 (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 NAAA 6/4885PPARA 688/4885REN 2079/4885
US-20080188566-A1 Hydroxamic acid derivatives of 3-Phenyl propionic acids useful as therapeutic agents for treating anthrax poisoning ANTXR2, PAOX, AGXT NAAA 10/4885PPARA 54/4885REN 2138/4885

“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.

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