SCHEMBL5504985

SCHEMBL5504985

CC(=O)OCCOc1csc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 3/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
P2RY12 Q9H244 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
TKT P29401 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
HIF1A Q16665 1/20 0.34
TP53 P04637 1/20 0.34
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL16252213 0.79 SMN1; SMN2 (0.47) HTTPKMGAASMN1; SMN2MAPT
SCHEMBL17918927 0.75 ATP4A (0.39) HTTPKMSMN1; SMN2MAPTALDH1A1
SCHEMBL2771532 0.75 RAB9A (0.38) HTTPKMGAASMN1; SMN2MAPT
SCHEMBL5230966 0.70 SMN1; SMN2 (0.43) PKMGAASMN1; SMN2MAPTALDH1A1
SCHEMBL13117385 0.69 HTT (0.41) HTTL3MBTL1PKMSMN1; SMN2PDE3B
SCHEMBL6987692 0.67 RAB9A (0.37) HTTPKMGAASMN1; SMN2MAPT
SCHEMBL14804204 0.67 TSHR (0.44) HTTL3MBTL1SMN1; SMN2ALDH1A1TSHR
SCHEMBL13841471 0.66 GRM5 (0.36) HTTSMN1; SMN2ALDH1A1TSHRNPC1
SCHEMBL14763907 0.66 HCAR2 (0.41) HTTL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL10754839 0.66 CYP1A2 (0.39) PKMGAASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101193891-A 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA (JP) 2008-06-04 CN claimed
CN-101193891-A 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA (JP) 2008-06-04 CN disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 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-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM HTT 3371/4885L3MBTL1 1129/4885PKM 2870/4885

“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.