SCHEMBL3672513

SCHEMBL3672513

COc1ccc(-c2nc3c(s2)CN(C(C)=O)CC3)cc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.53
TLR7 Q9NYK1 2/20 0.53
DPP4 P27487 6/20 0.49
DPP8 Q6V1X1 6/20 0.49
DPP9 Q86TI2 6/20 0.49
DPP7 Q9UHL4 6/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GRM5 P41594 1/20 0.46
PIK3CG P48736 1/20 0.41
TLR9 Q9NR96 1/20 0.41
MAPT P10636 1/20 0.41
GPR6 P46095 4/20 0.41
QDPR P09417 1/20 0.40
CREBBP Q92793 1/20 0.40
MAOB P27338 1/20 0.40
KCNK3 O14649 1/20 0.40

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
SCHEMBL3665999 0.91 TLR8 (0.52) TLR8TLR7DPP4DPP8DPP9
SCHEMBL3672530 0.86 TLR8 (0.55) TLR8TLR7DPP4DPP8DPP9
SCHEMBL18711323 0.82 NPC1 (0.59) TLR8TLR7DPP4DPP8DPP9
SCHEMBL3759005 0.82 GRM5 (0.47) TLR8TLR7DPP4DPP8DPP9
SCHEMBL3665961 0.82 TLR8 (0.49) TLR8TLR7DPP4DPP8DPP9
SCHEMBL3665959 0.82 TLR8 (0.49) TLR8TLR7DPP4DPP8DPP9
SCHEMBL3752249 0.80 GRM5 (0.46) TLR8TLR7DPP4DPP8DPP9
SCHEMBL3664573 0.79 NPC1 (0.60) TLR8TLR7DPP4DPP8DPP9
SCHEMBL18711737 0.78 RAB9A (0.59) TLR8TLR7DPP4DPP8DPP9
SCHEMBL18711328 0.77 DPP4 (0.58) TLR8TLR7DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 WO disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 TLR8 4686/4885TLR7 3431/4885DPP4 897/4885

“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.