SCHEMBL21986753

SCHEMBL21986753

O=C(O)c1csc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 7/20 0.50
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
SRD5A2 P31213 2/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CES2 O00748 1/20 0.34
ASPH Q12797 1/20 0.34
PDK2 Q15119 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL29361570 0.84 DAO (0.47) DAORXRARXRBRXRGSRD5A2
SCHEMBL14329503 0.79 DAO (0.55) DAORXRARXRBRXRGSRD5A2
SCHEMBL24035985 0.78 DAO (0.53) DAORXRARXRBRXRGSRD5A2
SCHEMBL24035984 0.73 DAO (0.48) DAORXRARXRBRXRGKDM4E
SCHEMBL25308556 0.72 DAO (0.36) DAORXRARXRBRXRGALDH1A1
SCHEMBL3942343 0.72 DAO (0.47) DAORXRARXRBRXRGSRD5A2
SCHEMBL18701716 0.71
SCHEMBL23413587 0.71 NOTUM (0.35) DAOALDH1A1KDM4EMEN1KMT2A
SCHEMBL21128627 0.71 DAO (0.46) DAOCA2
SCHEMBL3657808 0.71 DAO (0.59) DAORXRARXRBRXRGSRD5A2

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
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 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 (4 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-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B DAO 2487/4885RXRA 2630/4885RXRB 2755/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B DAO 2487/4885RXRA 2630/4885RXRB 2755/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B DAO 2487/4885RXRA 2630/4885RXRB 2755/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B DAO 2487/4885RXRA 2630/4885RXRB 2755/4885

“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.