SCHEMBL1283181

SCHEMBL1283181

CCCC1(C(=O)O)CCN(c2ncc(-c3cc(-c4ccc(C#N)cn4)c4sc(NC(=O)NCC)nc4c3)cn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
MAPK1 P28482 1/20 0.34
PIK3CA P42336 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GSK3B P49841 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
SCHEMBL1282744 0.94 MAPK1 (0.36) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL1283105 0.91 ABL1 (0.33) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL1283072 0.91 ABL1 (0.35) ABL1
SCHEMBL1282561 0.88 ABL1 (0.39) ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL1283233 0.86 MAPK1 (0.36) ABL1MAPK1PIK3CAMAPK8MAPK9
SCHEMBL1282901 0.85 ABL1 (0.36) ABL1
SCHEMBL1282565 0.85 ABL1 (0.34) ABL1
SCHEMBL1282586 0.84 ABL1 (0.35) ABL1PIK3CA
SCHEMBL1282472 0.84 ABL1 (0.39) ABL1MAPK1PIK3CA
SCHEMBL1282710 0.83 ABL1 (0.35) ABL1PIK3CA

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-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-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 ABL1 537/4885MAPK1 3226/4885PIK3CA 1700/4885
US-20170007615-A1 Antibacterial Compounds CLPP, MRPL21, RELA ABL1 294/4885MAPK1 2970/4885PIK3CA 994/4885

“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.