SCHEMBL6747220

SCHEMBL6747220

CCC(=Cc1ccc2c(c1)N(C(=O)OC(C)(C)C)c1nccnc1S2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
TBXAS1 P24557 2/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
EPHX2 P34913 2/20 0.31
PPARG P37231 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ESR1 P03372 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
SCHEMBL8318798 0.82 BCHE (0.41) BCHEHDAC6
SCHEMBL8318792 0.82 BCHE (0.41) BCHEHDAC6
SCHEMBL6747218 0.80 TTR (0.42) BCHE
SCHEMBL6745642 0.72 BCHE (0.41) BCHEHDAC6
SCHEMBL6747637 0.70 ICAM1 (0.48)
SCHEMBL6749505 0.67 HDAC6 (0.42) BCHEHDAC6
SCHEMBL7147037 0.66 HDAC6 (0.38) HDAC6
SCHEMBL9832954 0.63 BCHE (0.64) BCHEHDAC6
SCHEMBL19939632 0.63 BCHE (0.75) BCHE
SCHEMBL1579325 0.62 TBXAS1 (0.41) TBXAS1PSEN1PSEN2APH1BNCSTN

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-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 BCHE 421/4885TBXAS1 80/4885PSEN1 2407/4885

“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.