SCHEMBL9970271

SCHEMBL9970271

O=C(NO)[C@@H](COCc1ccccc1)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.52
MMP14 P50281 1/20 0.52
CTSS P25774 4/20 0.49
CTSL P07711 3/20 0.49
CTSB P07858 3/20 0.49
FOLH1 Q04609 1/20 0.48
MME P08473 1/20 0.45
S1PR1 P21453 2/20 0.45
MMP12 P39900 1/20 0.44
PPARA Q07869 1/20 0.44
SLC1A1 P43005 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
ANPEP P15144 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PSMB5 P28074 1/20 0.42

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
SCHEMBL28875926 0.86 FOLH1 (0.58) MMP9MMP14CTSSCTSLCTSB
SCHEMBL8171806 0.84 CYP2D6 (0.50) MMP9MMP14MMP12
SCHEMBL4741453 0.84 CYP2D6 (0.50) MMP9MMP14MMP12
SCHEMBL9970284 0.82 CTSS (0.49) MMP9MMP14CTSSCTSLCTSB
SCHEMBL9970281 0.80 PSMB5 (0.60) MMP9MMEANPEPPSMB5
SCHEMBL1274586 0.77 FOLH1 (0.52) CTSSCTSLCTSBFOLH1MME
SCHEMBL9001031 0.77 MME (0.61) MMP9MMP14CTSSCTSLCTSB
SCHEMBL3683228 0.76 CTSS (0.75) MMP9MMP14CTSSCTSLCTSB
SCHEMBL13103435 0.76 SLC1A1 (0.52) MMP9MMP14MMESLC1A1CA1
SCHEMBL9971659 0.74 HDAC8 (0.47) MMP9ANPEPPSMB5

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 2 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

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-20120157462-A1 Hydroxamic acid derivatives of aniline useful as therapeutic agents for treating anthrax poisoning ANTXR2, AGXT, AADAC MMP9 809/4885MMP14 376/4885CTSS 1744/4885

“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.