Sugi Predict

Sugi Predict / Compounds / SCHEMBL831629

SCHEMBL831629

SCHEMBL831629

CCOC(=O)C1=C(C(F)(F)F)NC(=O)C(C)C1CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 6/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CACNA1F O60840 1/20 0.34
▸ CACNA1D Q01668 1/20 0.34
▸ CACNA1S Q13698 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ PDGFRB P09619 1/20 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
SCHEMBL3707345 0.83 ADORA2B (0.34) ADORA2BALDH1A1HTT
SCHEMBL9188539 0.79 ADORA2B (0.46) ADORA2BALDH1A1HTTLMNAKDM4E
SCHEMBL833090 0.78 ADORA2B (0.44) ADORA2BALDH1A1HTTLMNAKDM4E
SCHEMBL9726284 0.75 KDM4E (0.62) ADORA2BALDH1A1HTTLMNAKDM4E
SCHEMBL20578322 0.73 ADORA2B (0.36) ADORA2BALDH1A1HTTLMNAKDM4E
SCHEMBL9726351 0.73 ADORA2B (0.45) ADORA2BALDH1A1HTTLMNAKDM4E
SCHEMBL10509439 0.69 ADORA2B (0.50) ADORA2BALDH1A1HTTLMNAKDM4E
SCHEMBL9726323 0.69 ADORA2B (0.50) ADORA2BALDH1A1HTTLMNAKDM4E
SCHEMBL9726271 0.67 ALDH1A1 (0.64) ADORA2BALDH1A1HTTLMNAKDM4E
SCHEMBL10507556 0.67 ADORA2B (0.48) 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.