SCHEMBL21132160

SCHEMBL21132160

CCC(C)Nc1c(O)c(=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 1/20 0.39
HCAR3 P49019 3/20 0.34
ELANE P08246 1/20 0.34
CXCR2 P25025 6/20 0.33
ITGB1 P05556 1/20 0.33

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
SCHEMBL26342338 0.75 SMN1; SMN2 (0.40) ALDH1A1CYP3A4L3MBTL1SMN1; SMN2TSHR
SCHEMBL20194036 0.74
SCHEMBL19035678 0.69 ALDH1A1 (0.35) ALDH1A1CYP3A4L3MBTL1SMN1; SMN2TSHR
SCHEMBL21842697 0.65 GAA (0.40) ALDH1A1SMN1; SMN2ITGB1ITGA4KDM4E
SCHEMBL791197 0.64
SCHEMBL3262475 0.62 L3MBTL1 (0.44) ALDH1A1CYP3A4L3MBTL1SMN1; SMN2TSHR
SCHEMBL28647773 0.62 ALDH1A1 (0.44) ALDH1A1CYP3A4L3MBTL1SMN1; SMN2TSHR
SCHEMBL2965438 0.61 ALDH1A1 (0.45) ALDH1A1CYP3A4L3MBTL1SMN1; SMN2TSHR
SCHEMBL725861 0.61 ALDH1A1 (0.49) ALDH1A1CYP3A4L3MBTL1SMN1; SMN2TSHR
SCHEMBL21814504 0.61 ALDH1A1 (0.48) ALDH1A1CYP3A4L3MBTL1SMN1; SMN2TSHR

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-20190202855-A1 POLYNUCLEOTIDE CONSTRUCTS SIRIUS THERAPEUTICS, INC. 2019-07-04 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-20190202855-A1 POLYNUCLEOTIDE CONSTRUCTS PHAX, CPSF6, RNGTT ALDH1A1 3953/4885CYP3A4 4813/4885L3MBTL1 1573/4885

“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.