SCHEMBL17327313

SCHEMBL17327313

CC(C)(C)[Si](C)(C)O[C@]1(CC(=O)O)CC[C@@H](c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SLC18A3 Q16572 3/20 0.37
RIPK1 Q13546 2/20 0.35
SIGMAR1 Q99720 5/20 0.35
OGA O60502 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MGLL Q99685 1/20 0.34
TRPA1 O75762 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL17327425 1.00 ALDH1A1 (0.39) ALDH1A1MAPTSLC18A3RIPK1SIGMAR1
SCHEMBL18763714 1.00 ALDH1A1 (0.39) ALDH1A1MAPTSLC18A3RIPK1SIGMAR1
SCHEMBL18763674 0.82 ALDH1A1 (0.34) ALDH1A1MAPTSLC18A3RIPK1TRPA1
SCHEMBL18763672 0.82 ALDH1A1 (0.34) ALDH1A1MAPTSLC18A3RIPK1TRPA1
SCHEMBL17327314 0.82 ALDH1A1 (0.34) ALDH1A1MAPTSLC18A3RIPK1TRPA1
SCHEMBL18763685 0.80 ALDH1A1 (0.32) ALDH1A1MAPTSLC18A3SIGMAR1TRPA1
SCHEMBL18790627 0.80 ALDH1A1 (0.32) ALDH1A1MAPTSLC18A3SIGMAR1TRPA1
SCHEMBL17327339 0.80 ALDH1A1 (0.32) ALDH1A1MAPTSLC18A3SIGMAR1TRPA1
SCHEMBL18763736 0.75 HTT (0.34) SIGMAR1HTT
SCHEMBL18763739 0.75 HTT (0.34) SIGMAR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987322-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-10987322-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20170112785-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2017-04-27 US disclosed
WO-2015188085-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2015-12-10 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 (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-20170112785-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT ALDH1A1 219/4885MAPT 2758/4885SLC18A3 1890/4885
US-10987322-B2 Immunoregulatory agents IDO1, IDO2, INMT ALDH1A1 219/4885MAPT 2758/4885SLC18A3 1890/4885

“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.