SCHEMBL5189243

SCHEMBL5189243

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.32
SMYD3 Q9H7B4 2/20 0.30
REN P00797 1/20 0.30
PARP1 P09874 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
SCHEMBL5188625 1.00 TMEM97 (0.32) TMEM97SMYD3RENPARP1
SCHEMBL6281965 1.00 TMEM97 (0.32) TMEM97SMYD3RENPARP1
SCHEMBL5188359 1.00 TMEM97 (0.32) TMEM97SMYD3RENPARP1
SCHEMBL6281723 0.91 TMEM97 (0.31) TMEM97REN
SCHEMBL6279101 0.91 TMEM97 (0.31) TMEM97REN
SCHEMBL6283611 0.91 TMEM97 (0.31) TMEM97REN
SCHEMBL6278815 0.91 TMEM97 (0.31) TMEM97REN
SCHEMBL6302745 0.88 TMEM97 (0.31) TMEM97SMYD3PARP1
SCHEMBL5471671 0.88 CA14 (0.40) SMYD3
SCHEMBL6302937 0.87 TMEM97 (0.31) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282610-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THE USE THEREOF IN MEDICAMENTS BAYER SCHERING PHARMA AG (DE) 2007-07-25 EP disclosed
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
EP-1282610-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THE USE THEREOF IN MEDICAMENTS Schering Aktiengesellschaft (DE) 2003-02-12 EP disclosed
WO-2001081323-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THE USE THEREOF IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-01 WO 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 2100/4885SMYD3 4551/4885REN 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.