SCHEMBL21990178

SCHEMBL21990178

CC1(C)CN(C(=O)c2c(F)cccc2Cl)c2cc(C(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 19/20 0.50
GAA P10253 1/20 0.44
RORA P35398 1/20 0.43
RORB Q92753 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL21990114 0.88 RORC (0.48) RORCGAARORARORB
SCHEMBL21990101 0.80 HPGD (0.57) RORC
SCHEMBL22043976 0.78 SLC22A12 (0.50) RORCGAA
SCHEMBL20594906 0.78 RORC (0.42) RORCGAARORARORBCYP3A4
SCHEMBL17447342 0.75 NOTUM (0.60) RORCCYP3A4CYP2C19
SCHEMBL15616679 0.68 RORC (0.86) RORCRORARORB
SCHEMBL21905610 0.68 STING1 (0.55) RORC
SCHEMBL21990041 0.68 STING1 (0.48) RORCCYP3A4CYP2C9
SCHEMBL15616593 0.68 RORC (0.65) RORCGAARORARORB
SCHEMBL22043972 0.67 STING1 (0.73) RORC

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 2 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 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 RORC 729/4885GAA 1376/4885RORA 1266/4885

“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.