SCHEMBL18214550

SCHEMBL18214550

CC(C)(SSCC(NC(=O)C(CCC(=O)NCC(O)C(O)C(O)C(O)CO)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)NCC(O)C(O)C(O)C(O)CO)NC(=O)C(CCC(=O)O)NC(=O)C(N)CCC(=O)NCC(O)C(O)C(O)C(O)CO)C(=O)O)C(N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.33
BACE2 Q9Y5Z0 1/20 0.32
GLO1 Q04760 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
CTSD P07339 2/20 0.31
FOLH1 Q04609 1/20 0.30
TLR2 O60603 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
SCHEMBL18214549 0.88 GLO1 (0.33) BACE1BACE2GLO1DPP4DPP8
SCHEMBL18214552 0.87 DPP4 (0.37) BACE1BACE2GLO1DPP4DPP8
SCHEMBL18214518 0.86 FOLH1 (0.35) BACE1BACE2GLO1DPP4DPP8
SCHEMBL22546322 0.86 DPP4 (0.37) BACE1BACE2GLO1DPP4DPP8
SCHEMBL18214555 0.84 BACE1 (0.34) BACE1BACE2GLO1DPP4DPP8
SCHEMBL19426373 0.83 TLR2 (0.35) BACE1BACE2GLO1DPP4DPP8
SCHEMBL21961692 0.81 FOLH1 (0.32) BACE1BACE2DPP4DPP8DPP9
SCHEMBL23802494 0.81 DPP4 (0.39) BACE1BACE2GLO1DPP4DPP8
SCHEMBL17197667 0.80 USP2 (0.33) GLO1
SCHEMBL17813102 0.79 DPP4 (0.34) BACE1BACE2GLO1DPP4DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210069340-A1 ANTIFOLATE CONJUGATES FOR TREATING INFLAMMATION ENDOCYTE INC (US) 2021-03-11 US disclosed
WO-2016179011-A1 ANTIFOLATE CONJUGATES FOR TREATING INFLAMMATION ENDOCYTE, INC. (US) 2016-11-10 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 (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-20210069340-A1 ANTIFOLATE CONJUGATES FOR TREATING INFLAMMATION FOLR1, FOLR2, MSR1 BACE1 3901/4885BACE2 3289/4885GLO1 974/4885

“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.