SCHEMBL5849920

SCHEMBL5849920

CCOC(=O)C=Cc1ccnc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.57
DPP4 P27487 1/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
FDPS P14324 1/20 0.53
MAOB P27338 1/20 0.52
CYP3A4 P08684 1/20 0.51
NR3C1 P04150 1/20 0.50
PPARG P37231 1/20 0.50
P2RY12 Q9H244 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALOX5 P09917 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL5849917 1.00 TTR (0.57) TTRDPP4CA12CA1CA2
SCHEMBL21633159 0.85 TTR (0.60) TTRDPP4CA12CA1CA2
SCHEMBL21633161 0.85 TTR (0.60) TTRDPP4CA12CA1CA2
SCHEMBL20738228 0.84 TTR (0.54) TTRCA12CA1CA2CA7
SCHEMBL3553948 0.83 TTR (0.57) TTRDPP4CA12CA1CA2
SCHEMBL3553947 0.83 TTR (0.57) TTRDPP4CA12CA1CA2
SCHEMBL12498892 0.82 DPP4 (0.53) TTRDPP4CA12CA1CA2
SCHEMBL534682 0.82 FDPS (0.59) TTRDPP4CA12CA1CA2
SCHEMBL11309003 0.82 TTR (0.56) TTRDPP4CA12CA1CA2
SCHEMBL17057461 0.81 TTR (0.55) TTRDPP4CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP 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 (3 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B TTR 2541/4885DPP4 4455/4885CA12 4687/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A TTR 2377/4885DPP4 4051/4885CA12 4564/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A TTR 2563/4885DPP4 4318/4885CA12 4781/4885

“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.