SCHEMBL726487

SCHEMBL726487

CN1C(=O)C(C(=O)O)Cc2cc(Br)cnc21

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.41
OPRK1 P41145 16/20 0.34
HSD17B10 Q99714 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL23913768 0.73 RIPK1 (0.47) RIPK1OPRK1HSD17B10
SCHEMBL8137963 0.70 HSD17B10 (0.41) RIPK1OPRK1HSD17B10RXFP1
SCHEMBL2672662 0.69 NNMT (0.36)
SCHEMBL2051397 0.69 BMPR1B (0.50) RIPK1HSD17B10
SCHEMBL30404193 0.69 BMPR1B (0.50) RIPK1HSD17B10
SCHEMBL7421949 0.68 BRD4 (0.40) RIPK1OPRK1HSD17B10RXFP1
SCHEMBL7416785 0.68 HSD17B10 (0.39) RIPK1OPRK1HSD17B10RXFP1
SCHEMBL2066345 0.67 HSD17B10 (0.38) RIPK1OPRK1HSD17B10RXFP1
SCHEMBL31758550 0.66 HSD17B10 (0.37) RIPK1OPRK1HSD17B10RXFP1
SCHEMBL27459429 0.66 HSD17B10 (0.34) OPRK1HSD17B10

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-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
WO-2011156811-A2 COMPOUNDS FOR TREATMENT OF BOVINE MASTITIS AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-12-15 WO disclosed
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 US disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 US disclosed
US-7879872-B2 comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 AFFINIUM PHARMACEUTICALS, INC. (CA) 2011-02-01 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 (3 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-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF RIPK1 4146/4885OPRK1 4530/4885HSD17B10 2027/4885
US-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 RIPK1 2796/4885OPRK1 3562/4885HSD17B10 1583/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 RIPK1 3704/4885OPRK1 3737/4885HSD17B10 917/4885

“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.