Sugi Predict

Sugi Predict / Compounds / SCHEMBL830635

SCHEMBL830635

SCHEMBL830635

CC(C)(C)CCOc1nc(-c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ LTB4R Q15722 3/20 0.41
▸ PPARD Q03181 4/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL832846 0.90 MAPT (0.43) ALDH1A1L3MBTL1KDM4EMAPTMEN1
SCHEMBL831055 0.90 EPRS1 (0.45) ALDH1A1L3MBTL1KDM4EMAPTMEN1
SCHEMBL830425 0.86 ALDH1A1 (0.51) ALDH1A1L3MBTL1LTB4RPPARDADORA3
SCHEMBL831794 0.86 KMO (0.43) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL831844 0.86 ALDH1A1 (0.42) ALDH1A1L3MBTL1LTB4RPPARDADORA3
SCHEMBL833331 0.86 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EMAPTMEN1
SCHEMBL831894 0.85 KMO (0.43) ALDH1A1L3MBTL1PPARD
SCHEMBL832584 0.76 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EMAPTMEN1
SCHEMBL831302 0.75 XDH (0.48) ALDH1A1L3MBTL1LTB4RKDM4EMAPT
SCHEMBL829557 0.74 XDH (0.45) ALDH1A1L3MBTL1LTB4RMAPTMEN1

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 823/4885LTB4R 2692/4885

“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.