SCHEMBL622649

SCHEMBL622649

COc1ccc2ncc(C(=O)OCC3CCC(NC(=O)OC(C)(C)C)CC3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 16/20 0.49
ALPL P05186 1/20 0.46
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PRKDC P78527 1/20 0.42
BTK Q06187 2/20 0.41

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
SCHEMBL622650 1.00 HPGDS (0.49) HPGDSALPLPIK3CAMTORPRKDC
SCHEMBL620719 0.82 ALDH1A1 (0.46) HPGDS
SCHEMBL620720 0.82 ALDH1A1 (0.46) HPGDS
SCHEMBL620619 0.76 ALPL (0.48) HPGDSALPL
SCHEMBL13145838 0.76 DDR2 (0.44) PIK3CAMTORPRKDCBTK
SCHEMBL620700 0.76 KCNH2 (0.55) HPGDS
SCHEMBL620701 0.76 KCNH2 (0.55) HPGDS
SCHEMBL7248815 0.75 HPGDS (0.64) HPGDSALPL
SCHEMBL622271 0.74 MET (0.45) HPGDSPIK3CAMTORPRKDC
SCHEMBL18615678 0.73 RIPK2 (0.43) BTK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133219-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-15 US disclosed
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS Basiliea Pharmaceutica AG 2015-03-19 US disclosed
US-8927542-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2014-08-07 US disclosed
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US disclosed
US-20120040957-A1 Novel Bicyclic Antibiotics BASILEA PHARMACEUTICA AG 2012-02-16 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 (3 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-20120040957-A1 Novel Bicyclic Antibiotics C5, C1S, CBR3 HPGDS 3655/4885ALPL 4669/4885PIK3CA 4456/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HPGDS 4577/4885ALPL 4620/4885PIK3CA 4618/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH HPGDS 4577/4885ALPL 4620/4885PIK3CA 4618/4885

“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.