SCHEMBL2014731

SCHEMBL2014731

COC(=O)c1c(S)cnc2ccc(OC)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 5/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.48
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
F2 P00734 1/20 0.45
GLA P06280 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.42
HPGDS O60760 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
SCHEMBL2012625 0.84 PLA2G2A (0.50) PLA2G2ATSHRHTTLMNAKDM4E
SCHEMBL2014108 0.75 PLA2G2A (0.45) PLA2G2ATSHRHTTLMNAKDM4E
SCHEMBL2015666 0.75 PLA2G2A (0.50) PLA2G2ATSHRHTTLMNAKDM4E
SCHEMBL2011583 0.74 LMNA (0.43) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL2011169 0.74 LMNA (0.57) PLA2G2ALMNAKDM4EMAPK1NPSR1
SCHEMBL2014269 0.74 ALDH1A1 (0.45) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL2313075 0.73 LMNA (0.56) LMNAKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL6270490 0.73 KDM4E (0.50) TSHRHTTLMNAKDM4EMAPK1
SCHEMBL5260744 0.72 LMNA (0.76) PLA2G2ALMNAKDM4EMAPK1NPSR1
SCHEMBL7534288 0.72 PLA2G2A (0.61) PLA2G2ALMNAKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120822-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-01 US disclosed
US-20150072975-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG 2015-03-12 US disclosed
US-8927541-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
EP-2513115-B1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2013-10-09 EP disclosed
EP-2513115-A1 TRICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2012-10-24 EP disclosed
US-20120245345-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2012-09-27 US disclosed
WO-2011073378-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-06-23 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 (2 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-20120245345-A1 TRICYCLIC ANTIBIOTICS CBR1, CBR3, C1S PLA2G2A 3163/4885TSHR 543/4885HTT 4381/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 PLA2G2A 4774/4885TSHR 2798/4885HTT 4524/4885

“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.