SCHEMBL13699213

SCHEMBL13699213

C/C=C/c1ccc(C(N)=O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.48
IKBKB O14920 1/20 0.40
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
MAPK1 P28482 3/20 0.35
KMT2A Q03164 2/20 0.35
EPHX2 P34913 1/20 0.34
ALOX5 P09917 2/20 0.33
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
DAPK3 O43293 2/20 0.33
CSNK1A1 P48729 2/20 0.33
LIMK1 P53667 2/20 0.33
ROCK1 Q13464 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
DYRK1B Q9Y463 2/20 0.33
LMNA P02545 1/20 0.33
UBE2I P63279 1/20 0.33
SAE1 Q9UBE0 1/20 0.33

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
SCHEMBL10023944 0.82 DAO (0.50) MAPK1KMT2AKDM4EHPGDDAO
SCHEMBL14293577 0.80 F2 (0.44) F2IKBKBPIM3PIM2MAPK1
SCHEMBL8429397 0.78 F2 (0.54) F2IKBKBPIM3PIM2MAPK1
SCHEMBL4150610 0.77 F2 (0.48) F2IKBKBPIM3PIM2MAPK1
SCHEMBL13699041 0.76 F2 (0.41) F2IKBKBPIM3PIM2MAPK1
SCHEMBL6181512 0.73 F2 (0.71) F2IKBKBMAPK1KMT2AEPHX2
SCHEMBL12307004 0.73 PTGS1 (0.33) MAPK1KMT2AALDH1A1KDM4ELMNA
SCHEMBL23665599 0.71 PTGS1 (0.36) MAPK1KMT2AALDH1A1KDM4ELMNA
SCHEMBL8589976 0.71 LMNA (0.50) MAPK1KMT2AALDH1A1KDM4EHPGD
SCHEMBL8589981 0.71 LMNA (0.50) MAPK1KMT2AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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 (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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 F2 3072/4885IKBKB 710/4885PIM3 1226/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 F2 1495/4885IKBKB 546/4885PIM3 409/4885

“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.