SCHEMBL5528443

SCHEMBL5528443

CC(C)(C)c1nc(-c2ccc(C(=O)O)cc2)c(C(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.47
RARB P10826 1/20 0.47
RARG P13631 1/20 0.47
RXRA P19793 3/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 1/20 0.44
PTGS2 P35354 1/20 0.42
SSTR5 P35346 1/20 0.41
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.40
SRD5A2 P31213 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
TOP2A P11388 1/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 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
SCHEMBL5525707 0.91 SMN1; SMN2 (0.41) RARARARBRARGRXRARXRB
SCHEMBL5524679 0.88 GRIA4 (0.44) PTGS2CDC7DBF4ALDH1A1SRD5A2
SCHEMBL5528299 0.88 CDC7 (0.51) RARARARBRARGPTGS2CDC7
SCHEMBL5525381 0.88 CDC7 (0.54) RARARARBRARGPTGS2CDC7
SCHEMBL5522085 0.87 PTGS2 (0.56) PTGS2CDC7DBF4KDM4EALDH1A1
SCHEMBL5525665 0.87 RAB9A (0.51) PTGS2CDC7DBF4KDM4EALDH1A1
SCHEMBL5527747 0.85 CDC7 (0.58) PTGS2CDC7DBF4
SCHEMBL5528446 0.83 RXRA (0.50) RXRARXRBCDC7DBF4KDM4E
SCHEMBL5524706 0.82 PTGDR2 (0.48) CDC7DBF4
SCHEMBL5524362 0.80 CA12 (0.44) RARBRARGCDC7DBF4RAB9A

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 RARA 734/4885RARB 1147/4885RARG 1437/4885

“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.