Sugi Predict

Sugi Predict / Compounds / SCHEMBL831844

SCHEMBL831844

SCHEMBL831844

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LTB4R Q15722 2/20 0.41
▸ XDH P47989 5/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ IDH1 O75874 1/20 0.37

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
SCHEMBL831092 0.87 KMO (0.42) ALDH1A1L3MBTL1XDH
SCHEMBL830819 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1XDHAAK1KDM4E
SCHEMBL830635 0.86 ALDH1A1 (0.43) ALDH1A1L3MBTL1LTB4RPPARDADORA3
SCHEMBL832288 0.86 KMO (0.43) ALDH1A1L3MBTL1XDHAAK1KDM4E
SCHEMBL830425 0.85 ALDH1A1 (0.51) ALDH1A1L3MBTL1LTB4RPPARDADORA3
SCHEMBL831698 0.85 KMO (0.43) ALDH1A1L3MBTL1XDHAAK1
SCHEMBL831302 0.81 XDH (0.48) ALDH1A1L3MBTL1LTB4RXDHAAK1
SCHEMBL829557 0.80 XDH (0.45) ALDH1A1L3MBTL1LTB4RXDHAAK1
SCHEMBL832657 0.79 XDH (0.42) LTB4RXDHPPARDPSEN1PSEN2
SCHEMBL830022 0.77 POLB (0.42) ALDH1A1L3MBTL1LTB4RAAK1ADORA3

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.