SCHEMBL831045

SCHEMBL831045

Cc1ccc(-c2cc(C(F)(F)F)c(C(=O)O)c(CC(C)C)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.48
DPP8 Q6V1X1 3/20 0.48
DPP9 Q86TI2 2/20 0.48
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 4/20 0.43
DHODH Q02127 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
ACHE P22303 1/20 0.42
RXFP1 Q9HBX9 3/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
MAPK1 P28482 1/20 0.39
XDH P47989 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
SCHEMBL830805 0.89 POLB (0.46) DPP4DPP8DPP9MAPTPOLB
SCHEMBL829804 0.88 POLB (0.45) DPP4DPP8DPP9MAPTPOLB
SCHEMBL829500 0.87 ALDH1A1 (0.48) DPP4DPP8DPP9MAPTPOLB
SCHEMBL831371 0.86 KMO (0.45) DPP4DPP8DPP9ALDH1A1L3MBTL1
SCHEMBL831344 0.85 KMO (0.44) DPP4DPP8DPP9ALDH1A1L3MBTL1
SCHEMBL831342 0.85 KMO (0.44) DPP4DPP8DPP9ALDH1A1L3MBTL1
SCHEMBL831419 0.81 ALDH1A1 (0.49) MAPTPOLBALDH1A1L3MBTL1KDM4E
SCHEMBL831302 0.81 XDH (0.48) MAPTPOLBALDH1A1L3MBTL1KDM4E
SCHEMBL839634 0.79 DPP4 (0.46) DPP4DPP8DPP9MAPTPOLB
SCHEMBL830842 0.79 KDM4E (0.44) MAPTPOLBALDH1A1L3MBTL1KDM4E

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 DPP4 466/4885DPP8 421/4885DPP9 246/4885

“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.