SCHEMBL5043060

SCHEMBL5043060

CCC(=O)Cc1nccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PKM P14618 3/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ADORA2A P29274 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
SLC6A3 Q01959 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4759129 0.82
SCHEMBL12530273 0.81 ALDH1A1 (0.44) FDPSALDH1A1PKMTRPM8TSHR
SCHEMBL2658210 0.78 PKM (0.51) FDPSALDH1A1PKMTRPM8SMN1; SMN2
SCHEMBL9120605 0.78
SCHEMBL3428398 0.78
SCHEMBL27731365 0.77 FDPS (0.43) FDPSALDH1A1PKMTRPM8TSHR
SCHEMBL5226040 0.77 FDPS (0.43) FDPSALDH1A1PKMTSHRSMN1; SMN2
SCHEMBL15573121 0.76 FDPS (0.46) FDPSALDH1A1PKMTRPM8TSHR
SCHEMBL15572413 0.76 FDPS (0.46) FDPSALDH1A1PKMTRPM8TSHR
SCHEMBL2398675 0.76

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299064-B2 Fused polycyclic compounds having a heterocyclic ring(s) and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2012-10-30 US disclosed
US-20110160191-A1 NEW FUSED POLYCYCLIC COMPOUNDS HAVING A HETEROCYCLIC RING(S) AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2011-06-30 US disclosed
US-7928101-B2 Fused polycyclic compounds having a heterocyclic ring(s) and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2011-04-19 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
EP-1718299-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-08 EP disclosed
US-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC 2005-09-08 US disclosed
WO-2005077363-A1 HETEROCYCLIC GABA-A SUBTYPE SELECTIVE RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-08-25 WO 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 (2 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-20050197330-A1 Heterocyclic GABAA subtype selective receptor modulators GABRA2, GABRA1, GABRA5 FDPS 1710/4885ALDH1A1 545/4885PKM 1850/4885
US-20110160191-A1 NEW FUSED POLYCYCLIC COMPOUNDS HAVING A HETEROCYCLIC RING(S) AND PHARMACEUTICAL USE THEREOF SLC2A4, SLC2A1, SLC2A3 FDPS 697/4885ALDH1A1 1086/4885PKM 203/4885

“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.