SCHEMBL15722121

SCHEMBL15722121

C=CCOC(=O)[C@H](CSSC[C@H](NC(=O)OC(C)(C)C)C(=O)OCC=C)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.67
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CTSK P43235 8/20 0.41
CTSS P25774 4/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
PPARG P37231 4/20 0.39
PPARA Q07869 4/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL15966639 0.89 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15966638 0.89 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15722117 0.87 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15703388 0.87 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL1701200 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL27895527 0.87 SMN1; SMN2 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15722122 0.86 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL15722123 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL28968951 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL28968948 0.85 SMN1; SMN2 (0.57) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9567336-B2 Conjugated TLR7 and/or TLR8 and TLR2 agonists INVIVOGEN (FR) 2017-02-14 US disclosed
US-9295732-B2 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists INVIVOGEN (FR) 2016-03-29 US disclosed
US-20140242108-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists CAYLA (FR) 2014-08-28 US disclosed
EP-2769738-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists Invivogen (FR) 2014-08-27 EP disclosed
US-20140141033-A1 CONJUGATED TLR7 AND/OR TLR8 AND TLR2 AGONISTS CAYLA (FR) 2014-05-22 US disclosed
EP-2732825-A1 Conjugated TLR7 and/or TLR8 and TLR2 agonists Invivogen (FR) 2014-05-21 EP 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-20140141033-A1 CONJUGATED TLR7 AND/OR TLR8 AND TLR2 AGONISTS TLR7, TLR8, TLR9 SMN1; SMN2 3974/4885CYP1A2 2817/4885CYP2C9 3545/4885
US-20140242108-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists TLR7, TLR8, TLR9 SMN1; SMN2 4596/4885CYP1A2 3277/4885CYP2C9 4100/4885

“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.