SCHEMBL5528465

SCHEMBL5528465

CNC(=O)c1ccc(Cc2nc(C(C)(C)C)sc2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.45
NR1H4 Q96RI1 2/20 0.45
PLK1 P53350 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
COPS5 Q92905 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
XDH P47989 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
FBP1 P09467 1/20 0.37
BRD4 O60885 1/20 0.37
SCD O00767 1/20 0.37
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 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
SCHEMBL5520247 0.90 SRD5A2 (0.41) EPHX2NR1H4SMN1; SMN2RAB9ACOPS5
SCHEMBL5527724 0.89 NPC1 (0.44) EPHX2NR1H4MAPTNPC1RAB9A
SCHEMBL5522346 0.86 PLA2G10 (0.44) EPHX2NR1H4SMN1; SMN2MAPTNPC1
SCHEMBL5527532 0.84 SMN1; SMN2 (0.48) SMN1; SMN2MAPTNPC1RAB9ACOPS5
SCHEMBL5528374 0.84 ALDH1A1 (0.45) NR1H4SMN1; SMN2MAPTNPC1COPS5
SCHEMBL5522358 0.83 RAB9A (0.51) SMN1; SMN2MAPTNPC1RAB9ACOPS5
SCHEMBL5524260 0.83 PPARA (0.40) SMN1; SMN2MAPTRAB9ACOPS5HPGD
SCHEMBL5522256 0.82 SMN1; SMN2 (0.50) SMN1; SMN2MAPTNPC1RAB9ACOPS5
SCHEMBL5527717 0.81 TSHR (0.47) EPHX2NR1H4SMN1; SMN2ALDH1A1XDH
SCHEMBL5556176 0.81 PLK1 (0.51) EPHX2NR1H4PLK1SMN1; SMN2MAPT

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 EPHX2 2567/4885NR1H4 871/4885PLK1 240/4885

“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.