SCHEMBL21990118

SCHEMBL21990118

Cc1cccc(C)c1CN1C(=O)C(C)(C)c2ccc(C(=O)NCc3c(F)cc(F)cc3F)cc21

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.78
ALDH1A1 P00352 1/20 0.43
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
HTR7 P34969 3/20 0.38
MAPK14 Q16539 2/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.37
KLKB1 P03952 1/20 0.37

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
SCHEMBL21990015 0.96 STING1 (0.82) STING1ALDH1A1CPT2CPT1ACPT1B
SCHEMBL21989983 0.92 STING1 (0.88) STING1ALDH1A1CPT2CPT1ACPT1B
SCHEMBL21990150 0.91 STING1 (0.71) STING1ALDH1A1CPT2CPT1ACPT1B
SCHEMBL21990084 0.89 STING1 (0.73) STING1ALDH1A1TP53
SCHEMBL21990100 0.88 STING1 (0.75) STING1ALDH1A1CPT2CPT1ACPT1B
SCHEMBL20594650 0.88 STING1 (1.00) STING1ALDH1A1CPT2CPT1ACPT1B
SCHEMBL21990014 0.88 STING1 (0.83) STING1ALDH1A1CPT2CPT1ACPT1B
SCHEMBL25943416 0.88 STING1 (0.80) STING1ALDH1A1CPT2CPT1ACPT1B
SCHEMBL21990008 0.88 STING1 (0.74) STING1ALDH1A1EPHX2KLKB1
SCHEMBL21990171 0.87 STING1 (0.77) STING1ALDH1A1CPT2CPT1ACPT1B

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 1/4885ALDH1A1 4642/4885CPT2 3089/4885

“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.