SCHEMBL13879686

SCHEMBL13879686

O=C(/C=C/c1ccc(Sc2ccc(F)cc2)cc1C(F)(F)F)NCCCN1CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 9/20 0.52
ICAM1 P05362 9/20 0.52
ITGAL P20701 9/20 0.52
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NAMPT P43490 1/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL13879617 0.88 ITGB2 (0.60) ITGB2ICAM1ITGALGAANPC1
SCHEMBL13879679 0.80 SMN1; SMN2 (0.41) ITGB2ICAM1ITGALGAASMN1; SMN2
SCHEMBL13879627 0.79 ITGB2 (0.58) ITGB2ICAM1ITGALGAANPC1
SCHEMBL13879678 0.79 CYP3A4 (0.52) SMN1; SMN2CYP2C19KMT2ACYP3A4KDM4E
SCHEMBL13879681 0.79 ITGB2 (0.51) ITGB2ICAM1ITGALNAMPTKDM4E
SCHEMBL13879687 0.78 MAOB (0.40) ITGALGAANPC1RAB9ASMN1; SMN2
SCHEMBL6310393 0.75 ITGAL (0.58) ITGB2ICAM1ITGALSMN1; SMN2KDM4E
SCHEMBL13879685 0.73 SMN1; SMN2 (0.41) ITGALGAASMN1; SMN2KMT2AMEN1
SCHEMBL13879654 0.73 ITGAL (0.63) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL7064969 0.73 ITGB2 (0.49) ITGB2ICAM1ITGALNPC1RAB9A

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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 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 (1 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 ITGB2 4487/4885ICAM1 2947/4885ITGAL 4495/4885

“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.