SCHEMBL21990105

SCHEMBL21990105

CC1(C)C(=O)N(Cc2c(F)cccc2C(F)(F)F)c2cc(C(=O)NCc3c(F)cc(F)cc3F)ccc21

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.78
KLKB1 P03952 3/20 0.40
EPHX2 P34913 8/20 0.39
PPARG P37231 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CPT2 P23786 1/20 0.37
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
STIM1 Q13586 1/20 0.36
ORAI1 Q96D31 1/20 0.36

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
SCHEMBL31595627 1.00 STING1 (0.78) STING1KLKB1EPHX2PPARGSMN1; SMN2
SCHEMBL21989983 0.92 STING1 (0.88) STING1KLKB1SMN1; SMN2CPT2CPT1A
SCHEMBL21990015 0.88 STING1 (0.82) STING1SMN1; SMN2CPT2CPT1ACPT1B
SCHEMBL21990014 0.88 STING1 (0.83) STING1SMN1; SMN2CPT2CPT1ACPT1B
SCHEMBL25943416 0.88 STING1 (0.80) STING1SMN1; SMN2CPT2CPT1ACPT1B
SCHEMBL20594650 0.88 STING1 (1.00) STING1SMN1; SMN2CPT2CPT1ACPT1B
SCHEMBL25943435 0.87 STING1 (0.79) STING1SMN1; SMN2CPT2CPT1ACPT1B
SCHEMBL21990118 0.86 STING1 (0.78) STING1KLKB1EPHX2SMN1; SMN2CPT2
SCHEMBL20594695 0.86 STING1 (0.58) STING1KLKB1EPHX2STIM1ORAI1
SCHEMBL21990127 0.86 STING1 (0.78) STING1PPARGSMN1; SMN2CPT2CPT1A

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 4 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
WO-2023147597-A2 ALLOSTERIC STING MODULATORS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-03 WO disclosed
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 1/4885KLKB1 3833/4885EPHX2 3950/4885

“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.