SCHEMBL13699041

SCHEMBL13699041

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
IKBKB O14920 1/20 0.37
EPHX2 P34913 1/20 0.35
ALOX5 P09917 2/20 0.35
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
HPGDS O60760 1/20 0.32
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 2/20 0.30
KMT2A Q03164 1/20 0.30
MELK Q14680 1/20 0.30
HTR2A P28223 3/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL14293577 0.82 F2 (0.44) F2IKBKBEPHX2ALOX5PIM3
SCHEMBL13699213 0.76 F2 (0.48) F2IKBKBEPHX2ALOX5PIM3
SCHEMBL13946976 0.73 MAPT (0.44) ALDH1A1HPGDMAPK1KMT2AKDM4E
SCHEMBL16841331 0.71 ALOX5 (0.33) ALOX5HTR2A
SCHEMBL12417831 0.71 ALOX5 (0.33) ALOX5HTR2A
SCHEMBL19347357 0.70 ALDH1A1 (0.39) ALDH1A1HPGDMAPK1KMT2AHTR2A
SCHEMBL8429397 0.70 F2 (0.54) F2IKBKBEPHX2PIM3PIM2
SCHEMBL13723082 0.70 PTGS1 (0.36)
SCHEMBL4150610 0.69 F2 (0.48) F2IKBKBEPHX2PIM3PIM2
SCHEMBL10130610 0.68 ALDH1A1 (0.59) F2IKBKBALDH1A1HPGDRAB9A

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 710/4885EPHX2 438/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 F2 1495/4885IKBKB 546/4885EPHX2 681/4885

“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.