SCHEMBL21990100

SCHEMBL21990100

CC1(C)C(=O)N(Cc2c(F)cc(O)cc2F)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.75
CPT1A P50416 2/20 0.41
CPT1B Q92523 2/20 0.41
CPT2 P23786 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
EPHX2 P34913 1/20 0.38
DRD2 P14416 3/20 0.36
DRD3 P35462 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POU2F2 P09086 3/20 0.34
KLKB1 P03952 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
HIF1A Q16665 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
SCHEMBL21989983 0.92 STING1 (0.88) STING1CPT1ACPT1BCPT2ALDH1A1
SCHEMBL21990035 0.89 STING1 (0.71) STING1CPT1ACPT1BCPT2ALDH1A1
SCHEMBL21989984 0.89 STING1 (0.78) STING1CPT1ACPT1BCPT2ALDH1A1
SCHEMBL21990118 0.88 STING1 (0.78) STING1CPT1ACPT1BCPT2ALDH1A1
SCHEMBL21990058 0.88 STING1 (0.75) STING1CPT1ACPT1BCPT2DRD2
SCHEMBL21990057 0.88 STING1 (0.75) STING1CPT1ACPT1BCPT2DRD2
SCHEMBL21990029 0.88 STING1 (0.77) STING1CPT1ACPT1BCPT2ALDH1A1
SCHEMBL21990171 0.87 STING1 (0.77) STING1CPT1ACPT1BCPT2ALDH1A1
SCHEMBL21990015 0.87 STING1 (0.82) STING1CPT1ACPT1BCPT2ALDH1A1
SCHEMBL21989994 0.86 STING1 (0.75) STING1CPT1ACPT1BCPT2MAPT

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-20200172483-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2020-06-04 US claimed
US-20200172483-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2020-06-04 US disclosed
US-20200172483-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING CURADEV PHARMA LIMITED (GB) 2020-06-04 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-20200172483-A1 HETEROCYCLIC SMALL MOLECULE MODULATORS OF HUMAN STING STING1, IRF3, CGAS STING1 1/4885CPT1A 3576/4885CPT1B 4351/4885

“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.