SCHEMBL6279101

SCHEMBL6279101

C[C@@H]1Oc2cc3c(cc2NC1=S)[C@H](N(CCCC(F)(F)F)C(=O)OC(C)(C)C)CCC3

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.31
REN P00797 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
SCHEMBL6283611 1.00 TMEM97 (0.31) TMEM97REN
SCHEMBL6278815 1.00 TMEM97 (0.31) TMEM97REN
SCHEMBL6281723 1.00 TMEM97 (0.31) TMEM97REN
SCHEMBL5189243 0.91 TMEM97 (0.32) TMEM97REN
SCHEMBL5188359 0.91 TMEM97 (0.32) TMEM97REN
SCHEMBL5188625 0.91 TMEM97 (0.32) TMEM97REN
SCHEMBL6281965 0.91 TMEM97 (0.32) TMEM97REN
SCHEMBL6611927 0.88 TMEM97 (0.31) TMEM97
SCHEMBL6614173 0.88 TMEM97 (0.31) TMEM97
SCHEMBL6613807 0.87 CXCR4 (0.37) TMEM97

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-6914059-B2 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AG (DE) 2005-07-05 US disclosed
US-20040006075-A1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments SCHERING AG (DE) 2004-01-08 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-20040006075-A1 Benzoxazine and benzothiazine derivatives and the use thereof in medicaments CYP4Z1, XDH, CYP3A5 TMEM97 2100/4885REN 809/4885

“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.