SCHEMBL5543963

SCHEMBL5543963

CC(=O)CC(=O)NCC(OCCI)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
ASAH1 Q13510 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
GRM7 Q14831 1/20 0.34
F9 P00740 1/20 0.34
F10 P00742 1/20 0.34
PLAU P00749 1/20 0.34
KMT2A Q03164 1/20 0.34
BCAT2 O15382 1/20 0.34
MMP2 P08253 1/20 0.34

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
SCHEMBL5550358 0.80 BCAT2 (0.37) HPGDMTNR1AMTNR1BALDH1A1NPC1
SCHEMBL5550359 0.80 BCAT2 (0.37) HPGDMTNR1AMTNR1BALDH1A1NPC1
SCHEMBL5543932 0.79 SYK (0.46) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL14365151 0.69 CHRM1 (0.48) HPGDASAH1NPC1RAB9ASMN1; SMN2
SCHEMBL14365108 0.68 LTB4R (0.40) HPGDMTNR1AMTNR1BASAH1MAPT
SCHEMBL5127848 0.67 MTNR1A (0.55) HPGDMTNR1AMTNR1BTSHRLMNA
SCHEMBL5543981 0.67 SYK (0.46) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28582182 0.66 GSR (0.42) HPGDMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL9340269 0.66 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1TSHRF9
SCHEMBL8330083 0.66 MTNR1A (0.54) MTNR1AMTNR1BALDH1A1TSHRF9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-20040142378-A1 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-07-22 US disclosed
US-20040031122-A1 Wiping device VALEO WISCHERSYSTEME GMBH (DE) 2004-02-19 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-20040142378-A1 Probe for mass spectrometry of liquid sample MRPS22, MRPS27, MRPS23 HPGD 3776/4885MTNR1A 356/4885MTNR1B 545/4885

“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.