SCHEMBL5528335

SCHEMBL5528335

CC(C)(C)c1nc(Cc2ccc3ccccc3c2)c(C(=O)O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
TBXA2R P21731 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGDR Q13258 1/20 0.39
CYP1A2 P05177 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
MAPK10 P53779 2/20 0.37
GSK3A P49840 1/20 0.37
RIOK2 Q9BVS4 1/20 0.37
SLC13A5 Q86YT5 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK8 P45983 1/20 0.37
ANO1 Q5XXA6 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
SCHEMBL5527532 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5522256 0.85 SMN1; SMN2 (0.50) SMN1; SMN2PTGDR2NPC1RAB9A
SCHEMBL13494102 0.83 SMN1; SMN2 (0.48) SMN1; SMN2PTGDR2TBXA2RPTGER4PTGFR
SCHEMBL5520198 0.83 RXFP1 (0.45) CYP1A2RAB9A
SCHEMBL5528442 0.82 NR1H4 (0.43) SMN1; SMN2NR1H4RAB9A
SCHEMBL5527609 0.82 CACNA1G (0.38) SMN1; SMN2NR1H4NPC1RAB9A
SCHEMBL5520247 0.82 SRD5A2 (0.41) SMN1; SMN2NR1H4MEN1KMT2ARAB9A
SCHEMBL5521998 0.81 HCAR2 (0.46) SMN1; SMN2HCAR2NPC1RAB9A
SCHEMBL5522180 0.81 HCAR2 (0.46) SMN1; SMN2PTGDR2HCAR2MEN1KMT2A
SCHEMBL10266175 0.81 PTGDR2 (0.46) SMN1; SMN2PTGDR2TBXA2RPTGER4PTGFR

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 SMN1; SMN2 4646/4885PTGDR2 2619/4885TBXA2R 2577/4885

“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.