SCHEMBL833090

SCHEMBL833090

CCOC(=O)C1=C(C(F)(F)F)NC(=O)CC1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 4/20 0.44
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 4/20 0.35
POLB P06746 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL3708335 0.83 ADORA2B (0.34) ADORA2BALDH1A1GPBAR1
SCHEMBL831210 0.83 ADORA2B (0.49) ADORA2BALDH1A1HTTNPSR1NPC1
SCHEMBL9188539 0.79 ADORA2B (0.46) ADORA2BALDH1A1HTTNPSR1NPC1
SCHEMBL831629 0.78 ADORA2B (0.44) ADORA2BALDH1A1HTTNPSR1NPC1
SCHEMBL9726351 0.73 ADORA2B (0.45) ADORA2BALDH1A1HTTLMNAKDM4E
SCHEMBL9726284 0.72 KDM4E (0.62) ADORA2BALDH1A1HTTLMNAKDM4E
SCHEMBL3710229 0.70 ADORA2B (0.39) ADORA2BALDH1A1HTTNPSR1NPC1
SCHEMBL9726347 0.70 ADORA2B (0.48) ADORA2BALDH1A1HTTNPSR1LMNA
SCHEMBL9726323 0.69 ADORA2B (0.50) ADORA2BALDH1A1HTTLMNAKDM4E
SCHEMBL10509439 0.69 ADORA2B (0.50) ADORA2BALDH1A1HTTLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-8143411-B2 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2012-03-27 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
US-20100234432-A1 Substituted 6-phenylnicotinic acids and their use BAYER ANIMAL HEALTH GMBH (DE) 2010-09-16 US disclosed
WO-2009033561-A1 SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 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-20100234432-A1 Substituted 6-phenylnicotinic acids and their use SLC5A6, FABP3, NAPRT ADORA2B 1971/4885ALDH1A1 1238/4885HTT 391/4885

“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.