SCHEMBL620619

SCHEMBL620619

COc1ccc2ncc(C(=O)OC[C@H]3CC[C@H](NC(=O)c4ccc5c(c4)NC(=O)CS5)CC3)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.48
HPGD P15428 1/20 0.47
HPGDS O60760 12/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42

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
SCHEMBL15662527 0.87 HPGD (0.46) ALPLHPGDHPGDSALDH1A1LMNA
SCHEMBL620682 0.82 HPGD (0.48) ALPLHPGDHPGDSALDH1A1LMNA
SCHEMBL620152 0.80 HPGD (0.46) ALPLHPGDHPGDSALDH1A1LMNA
SCHEMBL622790 0.77 HPGD (0.48) HPGDHPGDSALDH1A1LMNAKMT2A
SCHEMBL621760 0.77 HPGD (0.46) HPGDHPGDSALDH1A1LMNAKMT2A
SCHEMBL621761 0.77 HPGD (0.46) HPGDHPGDSALDH1A1LMNAKMT2A
SCHEMBL620405 0.76 HPGD (0.47) HPGDHPGDSALDH1A1LMNAKMT2A
SCHEMBL622650 0.76 HPGDS (0.49) ALPLHPGDS
SCHEMBL622649 0.76 HPGDS (0.49) ALPLHPGDS
SCHEMBL622688 0.76 HPGD (0.46) HPGDHPGDSALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716280-B2 Bicyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-05-06 US claimed
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
EP-2389376-A1 NOVEL BICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2011-11-30 EP disclosed
WO-2010084152-A1 NOVEL BICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2010-07-29 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 (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 ALPL 4669/4885HPGD 3555/4885HPGDS 3655/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALPL 4620/4885HPGD 4450/4885HPGDS 4577/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH ALPL 4620/4885HPGD 4450/4885HPGDS 4577/4885

“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.