SCHEMBL832422

SCHEMBL832422

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.45
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MDM2 Q00987 1/20 0.39
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
CYP11B2 P19099 2/20 0.36
CYP11B1 P15538 1/20 0.36
PTGES O14684 1/20 0.35
SORT1 Q99523 1/20 0.35
PIM1 P11309 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
SCHEMBL832782 0.89 ALDH1A1 (0.43) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL830842 0.86 KDM4E (0.44) AKR1C3AKR1C2ALDH1A1L3MBTL1KDM4E
SCHEMBL839415 0.83 KMO (0.42) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL830165 0.83 ALDH1A1 (0.43) ALDH1A1L3MBTL1KDM4EHPGDLMNA
Hydrochloric Acid SCHEMBL832585 0.83 KMO (0.41) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL839778 0.81 VCP (0.43) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL8076129 0.81 ALDH1A1 (0.47) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL831371 0.80 KMO (0.45) KMOAKR1C3AKR1C2AKR1B10AKR1C4
SCHEMBL831013 0.80 KMO (0.45) KMOAKR1C3AKR1C2AKR1B10AKR1C4
Hydrochloric Acid SCHEMBL832239 0.80 VCP (0.42) 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.