SCHEMBL13881978

SCHEMBL13881978

CCN(CC)c1ccc2nc3c4cc(OCC(=O)NC(COCCC(=O)O)(COCCC(=O)O)COCCC(=O)O)ccc4c(=O)cc-3oc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCP2 P22307 1/20 0.72
GPR84 Q9NQS5 10/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL12949166 0.92 SCP2 (0.62) SCP2GPR84MEN1KMT2APOLB
SCHEMBL12946584 0.88 SCP2 (0.57) SCP2GPR84MEN1KMT2APOLB
SCHEMBL12949057 0.87 SCP2 (0.57) SCP2GPR84MEN1KMT2APOLB
SCHEMBL23407860 0.86 SCP2 (0.57) SCP2GPR84MEN1KMT2APOLB
SCHEMBL3501312 0.85 SCP2 (0.82) SCP2GPR84MEN1KMT2APOLB
SCHEMBL14267417 0.84 SCP2 (1.00) SCP2GPR84MEN1KMT2APOLB
SCHEMBL7812704 0.82 SCP2 (0.93) SCP2GPR84MEN1KMT2APOLB
SCHEMBL26434823 0.81 SCP2 (0.76) SCP2GPR84MEN1KMT2APOLB
SCHEMBL13881728 0.81 SCP2 (0.49) SCP2GPR84MEN1KMT2APOLB
SCHEMBL23407835 0.81 SCP2 (0.51) SCP2GPR84MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110014196-A1 Drug Transfer into Living Cells COVALYS BIOSCIENCES AG (CH) 2011-01-20 US disclosed
US-20110014216-A1 Drug Transfer Based on Coenzyme A and Acyl Carrier Protein COVALYS BIOSCIENCES AG (CH) 2011-01-20 US disclosed
WO-2009043899-A1 DRUG TRANSFER INTO LIVING CELLS COVALYS BIOSCIENCES AG (CH) 2009-04-09 WO disclosed
WO-2009043900-A1 DRUG TRANSFER BASED ON COENZYME A AND ACYL CARRIER PROTEIN COVALYS BIOSCIENCES AG (CH) 2009-04-09 WO 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-20110014196-A1 Drug Transfer into Living Cells TSPO, MPI, ABCB1 SCP2 789/4885GPR84 1274/4885MEN1 506/4885
US-20110014216-A1 Drug Transfer Based on Coenzyme A and Acyl Carrier Protein COASY, ACAT2, ACAT1 SCP2 71/4885GPR84 735/4885MEN1 2821/4885

“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.