SCHEMBL5528446

SCHEMBL5528446

CC(C)(C)c1nc(-c2cccc(C(=O)O)c2)c(C(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
KMO O15229 2/20 0.44
MAP2K4 P45985 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK6 Q16659 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK14 Q16539 1/20 0.41
RORC P51449 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
CD74 P04233 1/20 0.40
MIF P14174 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 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
SCHEMBL5525381 0.86 CDC7 (0.54) CDC7DBF4ALDH1A1SMN1; SMN2NPC1
SCHEMBL5525575 0.85 TRPV1 (0.48) KMOALDH1A1SMN1; SMN2LMNA
SCHEMBL5528299 0.83 CDC7 (0.51) CDC7DBF4ALDH1A1SMN1; SMN2NPC1
SCHEMBL5528443 0.83 RARA (0.47) RXRARXRBCDC7DBF4ALDH1A1
SCHEMBL5524362 0.81 CA12 (0.44) CDC7DBF4SMN1; SMN2NPC1RAB9A
SCHEMBL5527759 0.79 DHFR (0.48) RXRARXRBKMOALDH1A1SMN1; SMN2
SCHEMBL5522437 0.78 GPR35 (0.48) KMOCDC7DBF4ALDH1A1KDM4E
SCHEMBL5525707 0.78 SMN1; SMN2 (0.41) RXRARXRBHDAC6CDC7DBF4
SCHEMBL5524679 0.77 GRIA4 (0.44) CDC7DBF4ALDH1A1NPC1RAB9A
SCHEMBL5527747 0.77 CDC7 (0.58) MAPK14CDC7DBF4SMN1; SMN2

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 2 patents. 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
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 RXRA 254/4885RXRB 331/4885KMO 1203/4885

“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.