SCHEMBL21137289

SCHEMBL21137289

CCCCC(CC)CCSC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 5/20 0.47
TSHR P16473 4/20 0.47
CA2 P00918 4/20 0.44
TDP1 Q9NUW8 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.37
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
CYP2D6 P10635 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
SCHEMBL20989231 0.88 TSHR (0.38) ALDH1A1CYP3A4TSHRCA2TDP1
SCHEMBL24175767 0.84 LMNA (0.43) TSHRSMN1; SMN2FDPS
SCHEMBL23228278 0.81 LMNA (0.41) TSHRFDPS
Water SCHEMBL9947734 0.78 ALDH1A1 (0.65) ALDH1A1CYP3A4TSHRCA2TDP1
SCHEMBL3884493 0.75 ALDH1A1 (0.68) ALDH1A1CYP3A4TSHRCA2TDP1
SCHEMBL2831677 0.73
SCHEMBL2958422 0.72 CYP3A4 (0.53) ALDH1A1CYP3A4TSHRCA2TDP1
SCHEMBL3338091 0.72 TSHR (0.56) ALDH1A1CYP3A4TSHRCA2TDP1
SCHEMBL524297 0.72 ALDH1A1 (0.65) ALDH1A1CYP3A4TSHRCA2TDP1
SCHEMBL4653062 0.72 ALDH1A1 (0.65) ALDH1A1CYP3A4TSHRCA2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210137962-A9 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 US disclosed
US-10980825-B2 Cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-20 US disclosed
US-20190192549-A1 CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICALS CO (JP) 2019-06-27 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 (3 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-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS ALDH1A1 4191/4885CYP3A4 4819/4885TSHR 3777/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS ALDH1A1 4191/4885CYP3A4 4819/4885TSHR 3777/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS ALDH1A1 4191/4885CYP3A4 4819/4885TSHR 3777/4885

“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.