SCHEMBL622271

SCHEMBL622271

COc1ccc2ncc(SCCN3CCC(NC(=O)OC(C)(C)C)CC3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.45
KCNA3 P22001 1/20 0.44
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KLF5 Q13887 1/20 0.43
MCHR1 Q99705 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
PRKDC P78527 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
HPGDS O60760 4/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 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
SCHEMBL620713 0.87 PIK3CA (0.43) METKCNA3ATMPIK3CAMTOR
SCHEMBL622206 0.82 PIK3CA (0.45) KCNA3ATMPIK3CAMTORPRKDC
SCHEMBL621758 0.79 FGFR3 (0.45) RXFP1MEN1KMT2AKLF5ALDH1A1
SCHEMBL10285563 0.79 KCNH2 (0.58)
SCHEMBL19094693 0.78 KCNH2 (0.49) KCNA3ATMPIK3CAMTORPRKDC
SCHEMBL5746181 0.77 KCNH2 (0.58) KCNA3ATM
SCHEMBL5747730 0.77 KCNH2 (0.47) KCNA3ATMPIK3CAMTORPRKDC
SCHEMBL621906 0.77 KCNA3 (0.44) METKCNA3ATMPIK3CAMTOR
SCHEMBL619715 0.76 MCHR1 (0.41) MCHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL620152 0.76 HPGD (0.46) MEN1KMT2AMCHR1ALDH1A1HPGD

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 8 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
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 MET 726/4885KCNA3 546/4885ATM 3007/4885
US-20140221348-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MET 3494/4885KCNA3 643/4885ATM 2965/4885
US-20150080373-A1 NOVEL BICYCLIC ANTIBIOTICS C1S, XPA, XDH MET 3494/4885KCNA3 643/4885ATM 2965/4885

“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.