SCHEMBL21137267

SCHEMBL21137267

CC(C)CC(=O)NCCSSC(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 5/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
PSMB5 P28074 1/20 0.36
HSD17B10 Q99714 2/20 0.33
HTT P42858 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
PTPN1 P18031 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLS O94925 1/20 0.32
NAMPT P43490 1/20 0.32

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
SCHEMBL13618223 0.79 ALDH1A1 (0.54) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18908668 0.77 SMN1; SMN2 (0.59) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18660789 0.74 POLB (0.37) TP53ALDH1A1TSHRKDM4E
SCHEMBL22338220 0.74 TSHR (0.45) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL25083177 0.74 TSHR (0.45) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL20340484 0.73 SMN1; SMN2 (0.66) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18199495 0.73 SMN1; SMN2 (0.66) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL18685685 0.73 TSHR (0.49) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL607171 0.71 SMN1; SMN2 (0.53) SMN1; SMN2TP53HPGDALDH1A1KMT2A
SCHEMBL1577892 0.71 SMN1; SMN2 (0.53) SMN1; SMN2TP53HPGDALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-29 US disclosed
US-20230399356-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-14 US disclosed
US-11725024-B2 Antibody drug conjugates TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-15 US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-06-06 US disclosed
US-20220409734-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-29 US disclosed
US-20220168330-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-06-02 US disclosed
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-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-15 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 (11 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-20240066047-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS SMN1; SMN2 1815/4885TP53 824/4885HPGD 1805/4885
US-20210106607-A1 ANTIBODY-DRUG CONJUGATES COMPRISING A CYCLIC DINUCLEOTIDE STING1, TLR9, CGAS SMN1; SMN2 1815/4885TP53 824/4885HPGD 1805/4885
US-20220168330-A1 ANTIBODY DRUG CONJUGATES STING1, CGAS, TBK1 SMN1; SMN2 3380/4885TP53 1115/4885HPGD 3918/4885
US-20210137962-A9 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS SMN1; SMN2 1484/4885TP53 764/4885HPGD 1108/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R SMN1; SMN2 3733/4885TP53 3540/4885HPGD 1842/4885
US-10980825-B2 Cyclic dinucleotide STING1, CGAS, MAVS SMN1; SMN2 1484/4885TP53 764/4885HPGD 1108/4885
US-20230399356-A1 ANTIBODY DRUG CONJUGATES STING1, CGAS, TBK1 SMN1; SMN2 3380/4885TP53 1115/4885HPGD 3918/4885
US-20190192549-A1 CYCLIC DINUCLEOTIDE STING1, CGAS, MAVS SMN1; SMN2 1484/4885TP53 764/4885HPGD 1108/4885
US-11666594-B2 Antibody-drug conjugates comprising a cyclic dinucleotide STING1, TLR9, CGAS SMN1; SMN2 1815/4885TP53 824/4885HPGD 1805/4885
US-20220409734-A1 ANTIBODY DRUG CONJUGATES STING1, CGAS, TBK1 SMN1; SMN2 3558/4885TP53 1644/4885HPGD 3444/4885
US-11725024-B2 Antibody drug conjugates STING1, CGAS, TBK1 SMN1; SMN2 3380/4885TP53 1115/4885HPGD 3918/4885

“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.