SCHEMBL17787488

SCHEMBL17787488

CN(CCCS(=O)(=O)O)CCNC(=O)C(N)CCCCNC(=O)CCCN1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.35
GNAI3 P08754 1/20 0.34
GNAO1 P09471 1/20 0.34
GNAI1 P63096 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
TERT O14746 4/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TLR2 O60603 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TOP2A P11388 3/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
RRM1 P23921 1/20 0.31

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
SCHEMBL17787484 0.88 KMT2A (0.38) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL17787489 0.79 SIRT2 (0.32)
SCHEMBL10071026 0.78 DPP7 (0.42) DPP7GNAI3GNAO1GNAI1OPRM1
SCHEMBL18088319 0.78 FOLH1 (0.42)
SCHEMBL462896 0.78 GNAI3 (0.43) DPP7GNAI3GNAO1GNAI1OPRM1
SCHEMBL27636331 0.76 TDP1 (0.47) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL11990337 0.72 MAPT (0.45) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL28558143 0.72 TERT (0.49) DPP7GNAI3GNAO1GNAI1TERT
SCHEMBL31722070 0.72 PTGS1 (0.50) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL30202393 0.72 PTGS1 (0.50) OPRM1OPRD1OPRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487480-B2 Zwitterionic reagents SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-11-08 US disclosed
US-20160274094-A1 ZWITTERIONIC REAGENTS SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-09-22 US disclosed
US-9353056-B2 2016-05-31 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-20160274094-A1 ZWITTERIONIC REAGENTS BTD, HLCS, WIZ DPP7 1515/4885GNAI3 2851/4885GNAO1 3969/4885

“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.