SCHEMBL20695331

SCHEMBL20695331

O=C(O)c1sc2cc(OC(F)(F)F)c(F)cc2c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCKDK O14874 2/20 0.52
MCL1 Q07820 5/20 0.49
BCL2L1 Q07817 2/20 0.49
RXFP1 Q9HBX9 2/20 0.48
STING1 Q86WV6 1/20 0.43
MAPK1 P28482 2/20 0.37
PRNP P04156 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
MAPK10 P53779 1/20 0.37
NCOA2 Q15596 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX2 P34913 1/20 0.37
GPR35 Q9HC97 1/20 0.36
TBXAS1 P24557 1/20 0.36
RPA1 P27694 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6026684 0.84 STING1 (0.40) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL912067 0.79 BCKDK (0.56) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL6025665 0.79 BCKDK (0.56) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL694493 0.77 BCKDK (0.57) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL6840187 0.77 MCL1 (0.60) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL5224932 0.75 STING1 (0.69) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL6840188 0.74 MCL1 (0.60) BCKDKMCL1BCL2L1RXFP1STING1
SCHEMBL20695240 0.73 BCKDK (0.46) BCKDKMCL1BCL2L1RXFP1MAPK1
SCHEMBL20695307 0.72 MGLL (0.38) ALDH1A1LMNA
SCHEMBL20708724 0.72 LMNA (0.34) STING1HTTEPHX2KDM4EALDH1A1

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-10610520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-07 US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 US disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 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 (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-20190125728-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE BCKDK 3150/4885MCL1 150/4885BCL2L1 40/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE BCKDK 3150/4885MCL1 150/4885BCL2L1 40/4885

“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.