SCHEMBL5527764

SCHEMBL5527764

CC(C)(C)c1nc(CC(=O)NC2CCCC2)c(C(=O)O)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40
HTT P42858 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
ALPL P05186 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL5527781 0.97 RXFP1 (0.38) EPHX2RXFP1ALDH1A1HPGDHTT
SCHEMBL5522515 0.95 CNR1 (0.37) EPHX2RXFP1ALDH1A1HPGDHTT
SCHEMBL5553132 0.82 KMT2A (0.48) EPHX2ALDH1A1HPGDHTTKMT2A
SCHEMBL13494051 0.81 HPGD (0.44) EPHX2RXFP1ALDH1A1HPGDHTT
SCHEMBL5528292 0.80 RORC (0.35) KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL5557908 0.79 KMT2A (0.45) EPHX2ALDH1A1HPGDHTTKMT2A
SCHEMBL5520030 0.78 NPC1 (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL5528716 0.78 KMT2A (0.34) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL5522474 0.78 SMN1; SMN2 (0.37) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2
SCHEMBL5527791 0.77 SMN1; SMN2 (0.36) ALDH1A1HPGDHTTKMT2AMEN1

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 2567/4885RXFP1 4640/4885ALDH1A1 2042/4885

“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.