SCHEMBL4006485

SCHEMBL4006485

CC(C)(C)c1ccc(CN(C(=O)C(=O)O)c2ccc(Br)c(C(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 13/20 0.45
NR1H4 Q96RI1 1/20 0.42
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
HDAC11 Q96DB2 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC8 Q9BY41 1/20 0.39
GLP1R P43220 1/20 0.38
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38

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
SCHEMBL1239632 0.88 HDAC6 (0.39) NR1H4PTGESALOX5HDAC11HDAC6
SCHEMBL1242713 0.83 SERPINE1 (0.58) SERPINE1NR1H4PTGESALOX5
SCHEMBL4010103 0.83 SERPINE1 (0.48) SERPINE1NR1H4PTGESALOX5HDAC11
SCHEMBL4441053 0.80 NR1H4 (0.52) SERPINE1NR1H4PTGESALOX5
SCHEMBL1242836 0.80 SERPINE1 (0.58) SERPINE1NR1H4PTGESALOX5
SCHEMBL4003060 0.80 CCR9 (0.42) SERPINE1NR1H4PTGESALOX5HDAC11
SCHEMBL1242259 0.79 SERPINE1 (0.60) SERPINE1NR1H4PTGESALOX5GLP1R
SCHEMBL1241458 0.78 PTGES (0.63) SERPINE1NR1H4PTGESALOX5
SCHEMBL1242521 0.75 PTGES (0.57) SERPINE1NR1H4PTGESALOX5
SCHEMBL4005059 0.74 NR1H4 (0.43) SERPINE1NR1H4PTGESALOX5HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
EP-2072498-A1 N-PHENYLOXAMIDIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-06-24 EP disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 SERPINE1 1/4885NR1H4 4184/4885PTGES 465/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 SERPINE1 1/4885NR1H4 4184/4885PTGES 465/4885

“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.