SCHEMBL1282205

SCHEMBL1282205

CCN(C(N)=O)c1nc2cc(-c3cnc(N4CCC(C)(C(=O)O)CC4)nc3)cc(-c3ccccn3)c2s1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.33
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 1/20 0.32
PKM P14618 1/20 0.32
AOC3 Q16853 3/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1282190 0.97 AOC3 (0.32) PTPN11DGAT1KCNH2PKMAOC3
SCHEMBL1283092 0.96 PTPN11 (0.31) PTPN11DGAT1KCNH2
SCHEMBL1282983 0.93 PTPN11 (0.32) PTPN11PKMAOC3ALDH1A1
SCHEMBL1282937 0.92 PTPN11 (0.32) PTPN11PKMAOC3
SCHEMBL1283728 0.91 PTPN11 (0.31) PTPN11PKMAOC3
SCHEMBL1283461 0.91 MLYCD (0.34) PTPN11KCNH2PKMAOC3
SCHEMBL1282501 0.91 KCNH2 (0.42) DGAT1KCNH2ALDH1A1
SCHEMBL1282552 0.91 DGAT1 (0.32) DGAT1KCNH2
SCHEMBL1283632 0.91 PTPN11 (0.31) PTPN11PKM
SCHEMBL1282559 0.91 PTPN11 (0.31) PTPN11PKMAOC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US claimed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 US claimed
US-20170007615-A1 Antibacterial Compounds SPERO GYRASE, INC. 2017-01-12 US disclosed
US-9181234-B2 Antibacterial compounds BIOTA EUROPE LTD. (GB) 2015-11-10 US disclosed
US-20120088750-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD. (GB) 2012-04-12 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-20120088750-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NISCH, LSS PTPN11 4067/4885DGAT1 2241/4885KCNH2 2727/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA PTPN11 2315/4885DGAT1 596/4885KCNH2 4313/4885

“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.