SCHEMBL22043976

SCHEMBL22043976

CC1(C)CN(Cc2c(F)cccc2Cl)c2cc(C(=O)O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.50
STING1 Q86WV6 1/20 0.48
RORC P51449 3/20 0.43
ACHE P22303 1/20 0.41
P2RX7 Q99572 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL21990041 0.80 STING1 (0.48) SLC22A12STING1RORCACHEALDH1A1
SCHEMBL21905610 0.79 STING1 (0.55) STING1RORCMAPTSMN1; SMN2TP53
SCHEMBL22043972 0.79 STING1 (0.73) STING1RORCMAPTSMN1; SMN2TP53
SCHEMBL21990178 0.78 RORC (0.50) RORCGAA
SCHEMBL21990156 0.78 STING1 (0.61) STING1RORCMAPTSMN1; SMN2POLB
SCHEMBL21932345 0.78 STING1 (0.56) SLC22A12STING1RORCMAPTSMN1; SMN2
SCHEMBL24296024 0.73 STING1 (0.49) SLC22A12STING1RORCMAPTSMN1; SMN2
SCHEMBL21905625 0.72 STING1 (0.46) STING1RORCACHEMAPTKDM4E
SCHEMBL21972427 0.72 STING1 (0.52) STING1RORCALDH1A1MAPTSMN1; SMN2
SCHEMBL21606290 0.72 MAPT (0.51) STING1RORCALDH1A1MAPTSMN1; SMN2

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 1 patent. 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

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 SLC22A12 3798/4885STING1 1/4885RORC 729/4885

“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.