SCHEMBL5552838

SCHEMBL5552838

CC(C)C[C@H](NC(=O)[C@@H](N)Cc1ccc(Br)cc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FCER2 P06734 4/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ NPY4R P50391 5/20 0.48
▸ NPY1R P25929 3/20 0.48
▸ NPY2R P49146 2/20 0.48
▸ NPY5R Q15761 2/20 0.48
▸ LTA4H P09960 1/20 0.47
▸ OPRD1 P41143 2/20 0.46
▸ CTSK P43235 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP3 P08254 1/20 0.45
▸ MMP7 P09237 1/20 0.45
▸ KISS1R Q969F8 1/20 0.44

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
SCHEMBL17147126 0.88 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5ROPRD1
SCHEMBL31185441 0.86 LTA4H (0.62) FCER2MMP1LTA4HMMP2MMP3
SCHEMBL30626017 0.86 LTA4H (0.62) FCER2MMP1LTA4HMMP2MMP3
SCHEMBL12057953 0.86 LTA4H (0.62) FCER2MMP1LTA4HMMP2MMP3
SCHEMBL12038997 0.86 LTA4H (0.62) FCER2MMP1LTA4HMMP2MMP3
SCHEMBL2487473 0.86 LTA4H (0.62) FCER2MMP1LTA4HMMP2MMP3
Acetic Acid SCHEMBL31115136 0.85 LTA4H (0.61) FCER2MMP1LTA4HOPRD1KISS1R
Hydrochloric Acid SCHEMBL30449237 0.85 LTA4H (0.61) FCER2MMP1LTA4HOPRD1KISS1R
Hydrochloric Acid SCHEMBL31115145 0.85 LTA4H (0.61) FCER2MMP1LTA4HOPRD1KISS1R
Acetic Acid SCHEMBL31115148 0.85 LTA4H (0.61) FCER2MMP1LTA4HOPRD1KISS1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 — — 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF FCER2 3098/4885MMP1 950/4885NPY4R 4772/4885

“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.

Send feedback