Sugi Predict

Sugi Predict / Compounds / SCHEMBL830823

SCHEMBL830823

SCHEMBL830823

Cc1ccc(-c2cc(C(F)(F)F)c(C(=O)O)c(CCC(C)C)n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 4/20 0.43
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ AKR1B10 O60218 1/20 0.42
▸ AKR1C4 P17516 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TRPV3 Q8NET8 2/20 0.37
▸ AAK1 Q2M2I8 2/20 0.36
▸ XDH P47989 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 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
SCHEMBL831371 0.89 KMO (0.45) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL830320 0.89 ALDH1A1 (0.44) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL831344 0.88 KMO (0.44) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL831342 0.88 KMO (0.44) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL830413 0.86 ALDH1A1 (0.44) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL832288 0.83 KMO (0.43) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL8081045 0.82 KMO (0.40) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL830072 0.80 XDH (0.45) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL831343 0.79 ALDH1A1 (0.41) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL831013 0.79 KMO (0.45) KMOAKR1C3AKR1C2AKR1B10AKR1C4

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 KMO 2954/4885AKR1C3 1658/4885AKR1C2 1390/4885

“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.