SCHEMBL2550366

SCHEMBL2550366

COc1ccc(COc2cc(F)ccc2CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.49
FFAR1 O14842 3/20 0.49
MAOB P27338 1/20 0.49
ABCB1 P08183 2/20 0.48
SYK P43405 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
APP P05067 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
PPARA Q07869 1/20 0.43

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
SCHEMBL15777915 0.88 FFAR4 (0.47) FFAR4FFAR1MAOBNPC1RAB9A
SCHEMBL22160236 0.87 NPC1 (0.48) MAOBABCB1NPC1RAB9AAPP
SCHEMBL2550338 0.86 MAOB (0.49) FFAR4FFAR1MAOBABCB1SYK
SCHEMBL2553583 0.84 ABCB1 (0.46) FFAR1MAOBABCB1NPC1RAB9A
SCHEMBL28921334 0.82 MAOB (0.51) FFAR4FFAR1MAOBABCB1SYK
SCHEMBL2394733 0.82 L3MBTL1 (0.48) FFAR4FFAR1NPC1
SCHEMBL2551418 0.80 ALDH1A1 (0.44) FFAR1MAOBABCB1NPC1RAB9A
SCHEMBL6034576 0.79 MAOB (0.55) MAOBABCB1PPARA
SCHEMBL2477376 0.78 FFAR4 (0.73) FFAR4FFAR1MAOBNPC1RAB9A
SCHEMBL696497 0.78 PDCD1 (0.50) FFAR4FFAR1PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
EP-2552923-B1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-03-26 EP disclosed
EP-2552923-B1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-03-26 EP disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
EP-2552923-A1 MACROCYCLIC INTEGRASE INHIBITORS Janssen R&D Ireland (IE) 2013-02-06 EP disclosed
WO-2011121105-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-10-06 WO disclosed
WO-2011121105-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-10-06 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-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS TYMP, PIM1, TYMS FFAR4 4245/4885FFAR1 3841/4885MAOB 2502/4885

“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.