SCHEMBL21152822

SCHEMBL21152822

CCCCCCCN[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)C(CCCCC)CCCCCCC)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ FURIN P09958 5/20 0.42
▸ PRSS1 P07477 2/20 0.41
▸ TLR2 O60603 2/20 0.40
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ NOD1 Q9Y239 2/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ RRM1 P23921 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.37
▸ BIRC2 Q13490 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ MMP8 P22894 1/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ FOLH1 Q04609 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
SCHEMBL21915070 0.89 SIRT6 (0.41) SIRT6SIRT1SMN1; SMN2FURINPRSS1
SCHEMBL25070732 0.89 SIRT6 (0.41) SIRT6SIRT1SMN1; SMN2FURINPRSS1
SCHEMBL20385879 0.86 SMN1; SMN2 (0.39) SIRT6SIRT1SMN1; SMN2FURINNOD1
SCHEMBL24173260 0.85 FURIN (0.47) SIRT6SIRT1SMN1; SMN2FURINPRSS1
SCHEMBL22692385 0.85 SIRT6 (0.38) SIRT6SIRT1SMN1; SMN2FURINPRSS1
SCHEMBL23962065 0.80 SMN1; SMN2 (0.44) SIRT6SIRT1SMN1; SMN2FURINGNAI3
SCHEMBL22702596 0.80 CTSL (0.47) SIRT6SIRT1FURINPRSS1TLR2
SCHEMBL24015397 0.79 FURIN (0.36) SIRT6SIRT1SMN1; SMN2FURINPRSS1
SCHEMBL19101872 0.79 FURIN (0.36) SIRT6SIRT1SMN1; SMN2FURINPRSS1
SCHEMBL19765297 0.78 SIRT6 (0.38) SIRT6SIRT1SMN1; SMN2FURINPRSS1

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-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2019-07-11 — — 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-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 SIRT6 4446/4885SIRT1 4564/4885SMN1; SMN2 3669/4885

“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.

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