SCHEMBL2014108

SCHEMBL2014108

COC(=O)c1c(OS(=O)(=O)C(F)(F)F)cnc2ccc(OC)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 6/20 0.45
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.39
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DDR2 Q16832 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL20681189 0.86 PLA2G2A (0.47) PLA2G2ATSHRHTTKDM4EALDH1A1
SCHEMBL632944 0.78 LMNA (0.52) LMNAKDM4EMAPK1NPSR1SMN1; SMN2
SCHEMBL20681585 0.78 NR1H2 (0.44) LMNATSHRMAPK1ALDH1A1CYP1A2
SCHEMBL2012625 0.76 PLA2G2A (0.50) PLA2G2ALMNATSHRHTTKDM4E
SCHEMBL5430342 0.76 LMNA (0.41) LMNAHTTKDM4EMAPK1NPSR1
SCHEMBL17080255 0.75 KDM4E (0.48) PLA2G2AHTTKDM4ENPSR1ALDH1A1
SCHEMBL294877 0.75 KDM4E (0.44) LMNATSHRKDM4ENPSR1ALDH1A1
SCHEMBL2014731 0.75 PLA2G2A (0.49) PLA2G2ALMNATSHRHTTKDM4E
SCHEMBL6080154 0.75 LMNA (0.40) LMNAHTTKDM4EMAPK1NPSR1
SCHEMBL1223959 0.73 POLB (0.52) LMNAKDM4EALDH1A1HPGDSMN1; SMN2

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 3163/4885LMNA 4019/4885TSHR 543/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 PLA2G2A 4774/4885LMNA 3459/4885TSHR 2798/4885

“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.