SCHEMBL5528292

SCHEMBL5528292

CC(C)(C)c1nc(CC2CCCC2)c(C(=O)O)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.35
RORB Q92753 9/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GALR2 O43603 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
CHRM3 P20309 1/20 0.32
TACR2 P21452 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL5520030 0.87 NPC1 (0.36) CNR1CNR2NPC1RAB9AL3MBTL1
SCHEMBL5520454 0.83 ALDH1A1 (0.44) NPC1RAB9AGAASMN1; SMN2MEN1
SCHEMBL5527764 0.80 EPHX2 (0.40) L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL5558085 0.78 ALDH1A1 (0.37) RORCRORBNPC1RAB9AL3MBTL1
SCHEMBL5527781 0.77 RXFP1 (0.38) CNR1CNR2L3MBTL1SMN1; SMN2MEN1
SCHEMBL5527718 0.77 SMN1; SMN2 (0.36) CNR1CNR2SMN1; SMN2MEN1KMT2A
SCHEMBL9643564 0.77 MEN1 (0.39) CNR1CNR2NPC1RAB9AL3MBTL1
SCHEMBL5522515 0.76 CNR1 (0.37) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL25205989 0.75 MEN1 (0.35) CNR1CNR2L3MBTL1SMN1; SMN2MEN1
SCHEMBL5527584 0.75 L3MBTL1 (0.45) CNR1CNR2L3MBTL1GAA

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 RORC 1249/4885RORB 1052/4885CNR1 2732/4885

“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.