SCHEMBL26205237

SCHEMBL26205237

CCCOC(=O)C(=O)CC(=O)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
RORC P51449 4/20 0.40
EPHX2 P34913 2/20 0.40
PPARG P37231 2/20 0.40
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
NAAA Q02083 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3CA P42336 1/20 0.39
NLRP3 Q96P20 1/20 0.38
CNR2 P34972 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL24208566 0.89 NPSR1 (0.52) HDAC1HDAC8NPSR1RORCEPHX2
SCHEMBL22541478 0.80 CYP1A1 (0.45) HDAC1HDAC8PPARGHRH3PIK3CA
SCHEMBL21663226 0.77 PIK3CA (0.42) HDAC1HDAC8RORCMAPK8MAPK10
SCHEMBL20351533 0.77 MAPT (0.48) HDAC1HDAC8NPSR1EPHX2PPARG
SCHEMBL7639131 0.77 NPSR1 (0.54) HDAC1HDAC8NPSR1RORCEPHX2
SCHEMBL4692273 0.76 MAPT (0.53) RORCEPHX2MEN1KMT2ANLRP3
SCHEMBL30628135 0.75 PIK3CA (0.47) HDAC1HDAC8RORCHRH3MEN1
SCHEMBL4657783 0.74 PIK3CA (0.50) HDAC1HDAC8RORCMAPK8MAPK10
SCHEMBL4305804 0.74 PIK3CA (0.56) HDAC1HDAC8EPHX2MAPK8HRH3
SCHEMBL2096876 0.73 FAAH (0.52) HDAC1HDAC8EPHX2PPARGPPARA

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-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 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-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 HDAC1 2416/4885HDAC8 1203/4885NPSR1 3277/4885

“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.