Sugi Predict

Sugi Predict / Compounds / SCHEMBL830320

SCHEMBL830320

SCHEMBL830320

COC(=O)c1c(C(F)(F)F)cc(-c2ccc(C)c(F)c2)nc1CCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ AKR1B10 O60218 1/20 0.38
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ TRPV3 Q8NET8 2/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KMO O15229 2/20 0.36
▸ AAK1 Q2M2I8 3/20 0.35
▸ PTGES O14684 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CTSA P10619 3/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ BDKRB1 P46663 2/20 0.33
▸ CTSS P25774 1/20 0.33

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
SCHEMBL832076 0.90 ALDH1A1 (0.45) ALDH1A1L3MBTL1AKR1B10AKR1C4AKR1C3
SCHEMBL830823 0.89 KMO (0.43) ALDH1A1L3MBTL1AKR1B10AKR1C4AKR1C3
SCHEMBL832573 0.87 ALDH1A1 (0.47) ALDH1A1L3MBTL1AKR1B10AKR1C4AKR1C3
SCHEMBL831110 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1AKR1B10AKR1C4AKR1C3
SCHEMBL830911 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1AKR1B10AKR1C4AKR1C3
SCHEMBL832782 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1AKR1B10AKR1C4AKR1C3
SCHEMBL832431 0.81 ALDH1A1 (0.43) ALDH1A1L3MBTL1AKR1B10AKR1C4AKR1C3
SCHEMBL830470 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1AKR1B10AKR1C4AKR1C3
SCHEMBL830427 0.79 ALDH1A1 (0.51) ALDH1A1L3MBTL1AKR1B10AKR1C4AKR1C3
SCHEMBL831371 0.79 KMO (0.45) ALDH1A1L3MBTL1AKR1B10AKR1C4AKR1C3

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 ALDH1A1 1238/4885L3MBTL1 823/4885AKR1B10 1578/4885

“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.