Sugi Predict

Sugi Predict / Compounds / SCHEMBL830007

SCHEMBL830007

SCHEMBL830007

CCOC(=O)c1c(CC(C)C)cc(-c2cccc(C)c2)nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ KDM4E B2RXH2 7/20 0.40
▸ HPGD P15428 7/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ SDHB P21912 1/20 0.39

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
SCHEMBL831044 0.89 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EHPGDMAPK1
SCHEMBL839855 0.87 GFER (0.42) ALDH1A1HPGDCYP2C9CYP2C19MAPT
Potassium SCHEMBL830614 0.86 GFER (0.41) ALDH1A1HPGDCYP2C9CYP2C19MAPT
SCHEMBL830612 0.86 GFER (0.41) ALDH1A1HPGDCYP2C9CYP2C19MAPT
Potassium Ion SCHEMBL830613 0.85 SDHB (0.40) ALDH1A1HPGDKMT2AMEN1SDHB
SCHEMBL831460 0.85 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4EHPGDMAPK1
SCHEMBL829769 0.85 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EHPGDMAPK1
SCHEMBL831887 0.84 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EHPGDMAPK1
SCHEMBL832501 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1KDM4EHPGDMAPK1
SCHEMBL832295 0.78 ALDH1A1 (0.50) ALDH1A1L3MBTL1KDM4EHPGDMAPK1

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.