Sugi Predict

Sugi Predict / Compounds / SCHEMBL833331

SCHEMBL833331

SCHEMBL833331

CC(C)(C)CCOc1nc(-c2cc(F)cc(F)c2)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 6/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HPGD P15428 3/20 0.34
▸ TSHR P16473 1/20 0.33
▸ KMO O15229 2/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ LDHA P00338 1/20 0.31
▸ DGAT1 O75907 1/20 0.31

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
SCHEMBL830844 0.86 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EMAPTLMNA
SCHEMBL830819 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EMAPTLMNA
SCHEMBL830635 0.86 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EMAPTLMNA
SCHEMBL832846 0.85 MAPT (0.43) ALDH1A1L3MBTL1KDM4EMAPTLMNA
SCHEMBL831055 0.85 EPRS1 (0.45) ALDH1A1L3MBTL1KDM4EMAPTLMNA
SCHEMBL831894 0.83 KMO (0.43) ALDH1A1L3MBTL1KMOGRIN2B
SCHEMBL831794 0.83 KMO (0.43) ALDH1A1L3MBTL1MEN1KMT2AKMO
SCHEMBL3752012 0.78 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMO
SCHEMBL3754265 0.74 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EMAPTLMNA
SCHEMBL3759878 0.73 ALDH1A1 (0.39) ALDH1A1L3MBTL1

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 823/4885KDM4E 3571/4885

“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.