SCHEMBL13623673

SCHEMBL13623673

CCOCC(CNC(=O)CCN1C(=O)C=CC1=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.40
MAPK1 P28482 4/20 0.38
BLM P54132 3/20 0.38
CYP2C19 P33261 3/20 0.38
HIF1A Q16665 3/20 0.38
MEN1 O00255 2/20 0.38
GMNN O75496 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
ALOX15 P16050 2/20 0.38
NFKB1 P19838 2/20 0.38
CYP1A2 P05177 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MTOR P42345 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
SCHEMBL13624122 0.90 GSK3A (0.35) TLR2BLMCYP2C19HIF1AMEN1
SCHEMBL13623807 0.85 SMN1; SMN2 (0.42) TLR2CYP2C19LMNACYP3A4HSD17B10
SCHEMBL25622581 0.81 TLR2 (0.42) TLR2HSD17B10PTGS1PTGS2MGLL
SCHEMBL10018579 0.78 MGLL (0.33) TLR2PTGS1PTGS2MGLLFAAH
Ether SCHEMBL515801 0.77 GSK3A (0.33) BLMCYP2C19HIF1ACYP1A2ALDH1A1
SCHEMBL277453 0.76 SMN1; SMN2 (0.43) BLMCYP2C19HIF1ALMNACYP1A2
SCHEMBL15892801 0.75 MGLL (0.39) BLMCYP2C19HIF1AMEN1LMNA
SCHEMBL10018581 0.75 MGLL (0.38) MAPK1BLMCYP2C19HIF1AMEN1
SCHEMBL277801 0.75 SMN1; SMN2 (0.42) BLMCYP2C19HIF1ALMNACYP1A2
SCHEMBL12201716 0.74 KAT2A (0.39) MAPK1BLMCYP2C19HIF1AGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use BAYER PHARMACEUTICALS CORPORATION (US) 2009-11-12 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 (1 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-20090280106-A1 Pituitary adenylate cyclase acivating peptide (pacap) receptor (vpac2) agonists and their pharmacological methods of use ADCYAP1R1, VIPR2, ADCY2 TLR2 2445/4885MAPK1 3433/4885BLM 4607/4885

“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.