SCHEMBL6312787

SCHEMBL6312787

CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
TSHR P16473 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NOD2 Q9HC29 2/20 0.43
NOD1 Q9Y239 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.43
TLR4 O00206 4/20 0.41
GAA P10253 2/20 0.41
FKBP1A P62942 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6317353 1.00 LMNA (0.46) LMNATSHRL3MBTL1KDM4ENOD2
SCHEMBL5747524 1.00 LMNA (0.46) LMNATSHRL3MBTL1KDM4ENOD2
SCHEMBL25491446 0.87 TSHR (0.47) LMNATSHRL3MBTL1KDM4ENOD2
SCHEMBL23776145 0.87 L3MBTL1 (0.52) LMNATSHRL3MBTL1KDM4ENOD2
SCHEMBL5769409 0.86 L3MBTL1 (0.48) L3MBTL1PTGDR2USP2
SCHEMBL6319224 0.85 TSHR (0.48) LMNATSHRL3MBTL1KDM4ENOD2
SCHEMBL5767744 0.85 TSHR (0.48) LMNATSHRL3MBTL1KDM4ENOD2
SCHEMBL5823455 0.85 TSHR (0.48) LMNATSHRL3MBTL1KDM4ENOD2
SCHEMBL19726326 0.84 L3MBTL1 (0.42) LMNATSHRL3MBTL1KDM4ENOD2
SCHEMBL23776098 0.84 NOD2 (0.48) TSHRL3MBTL1NOD2NOD1ALDH1A1

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-20050043354-A1 NK1 antagonist PFIZER INC 2005-02-24 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-20050043354-A1 NK1 antagonist TACR2, TACR1, TAC3 LMNA 3815/4885TSHR 975/4885L3MBTL1 3398/4885

“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.