SCHEMBL832583

SCHEMBL832583

COC(=O)C1=C(C(C)C)NC(c2ccc(Cl)cc2)CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.41
PTPN1 P18031 1/20 0.41
LMNA P02545 1/20 0.40
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
SLC6A3 Q01959 5/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL831379 0.82 GPBAR1 (0.52) GPBAR1MAPTMEN1KMT2A
SCHEMBL1703036 0.72 HPGD (0.45) HPGDKDM4EALDH1A1GLAPOLB
SCHEMBL29009158 0.70 LMNA (0.49) HPGDKDM4EALDH1A1GLAPOLB
SCHEMBL29009205 0.69 LMNA (0.48) HPGDKDM4EALDH1A1GLAPOLB
SCHEMBL12011218 0.68 KDM4E (0.44) HPGDKDM4EALDH1A1GLAPOLB
SCHEMBL832247 0.68 ADORA2B (0.45) HPGDKDM4EALDH1A1GAALMNA
SCHEMBL8442229 0.65 SLC6A3 (0.43) HPGDKDM4EALDH1A1POLBGAA
SCHEMBL28612447 0.65 MEN1 (0.43) HPGDKDM4EALDH1A1GLAGAA
SCHEMBL27268193 0.65 SLC6A3 (0.38) HPGDKDM4EALDH1A1GLAPOLB
SCHEMBL4238503 0.63 LDHA (0.54) HPGDALDH1A1LMNAMEN1KMT2A

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 HPGD 1605/4885KDM4E 3571/4885ALDH1A1 1238/4885

“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.