SCHEMBL24969898

SCHEMBL24969898

CC(C1CCCCC1)C(C)C1CCC(F)(F)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.37
DPP4 P27487 3/20 0.36
DPP7 Q9UHL4 1/20 0.36
EPHX1 P07099 2/20 0.32
EPHX2 P34913 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP2 P08253 2/20 0.31
CA9 Q16790 2/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL19862544 0.82
SCHEMBL16238100 0.81 DPP4 (0.38) SHBGDPP4DPP7EPHX1TP53
SCHEMBL29312507 0.81 DPP4 (0.31) SHBGDPP4DPP7
SCHEMBL2995478 0.81 SHBG (0.50) SHBGEPHX1CA12CA1CA2
SCHEMBL23895876 0.78 EPHX2 (0.30) EPHX2
SCHEMBL23595592 0.78 SHBG (0.45) SHBGEPHX1CA12CA1CA2
SCHEMBL681112 0.76
SCHEMBL104831 0.75 EPHX2 (0.42) EPHX2
SCHEMBL21983594 0.72 L3MBTL1 (0.32) EPHX2
SCHEMBL21064 0.72 EPHX2 (0.32) EPHX2

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-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-01-26 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-20230021448-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 SHBG 4148/4885DPP4 2699/4885DPP7 1575/4885

“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.