SCHEMBL5528099

SCHEMBL5528099

CC(C)(C)c1cc(C(=O)O)nc(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.45
LMNA P02545 2/20 0.42
HRH4 Q9H3N8 1/20 0.41
GPR35 Q9HC97 1/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
HIF1A Q16665 1/20 0.41
GRN P28799 4/20 0.40
SORT1 Q99523 4/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.34
ACMSD Q8TDX5 1/20 0.33
MAPK14 Q16539 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL25136303 0.87 KMO (0.44) KMOLMNAHRH4GPR35ALOX15
SCHEMBL25485771 0.86 KMO (0.43) KMOLMNAGPR35ALOX15TSHR
SCHEMBL30261798 0.81 KMO (0.45) KMOLMNAGPR35ALOX15TSHR
SCHEMBL25859898 0.81 KMO (0.45) KMOLMNAGPR35ALOX15TSHR
SCHEMBL7878295 0.80 LMNA (0.62) KMOLMNAGPR35ALOX15TSHR
SCHEMBL12257760 0.77 HRH4 (0.53) LMNAHRH4ALOX15TSHRKDM4E
SCHEMBL12552666 0.77 CYP1A2 (0.46) LMNATSHRKDM4EALDH1A1MAPK1
SCHEMBL1179028 0.75 ALDH1A1 (0.55) KMOLMNAGPR35ALOX15TSHR
SCHEMBL12452873 0.74 KDM4E (0.43) LMNAGPR35ALOX15TSHRHIF1A
SCHEMBL986362 0.74 KMO (0.51) KMOLMNAGPR35ALOX15TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 KMO 1203/4885LMNA 3249/4885HRH4 3167/4885

“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.