SCHEMBL5550358

SCHEMBL5550358

C/C(N)=C/C(=O)NCC(OCCI)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
GRM7 Q14831 1/20 0.32
CYP2D6 P10635 3/20 0.32
CYP1A2 P05177 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL5550359 1.00 BCAT2 (0.37) BCAT2LTB4RLTB4R2F9F10
SCHEMBL14365108 0.89 LTB4R (0.40) BCAT2LTB4RLTB4R2F9F10
SCHEMBL5545783 0.84 CHRM1 (0.45) BCAT2LTB4RLTB4R2F9F10
SCHEMBL5543963 0.80 HPGD (0.39) BCAT2F9F10PLAUSMN1; SMN2
SCHEMBL5543932 0.75 SYK (0.46) SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL13956776 0.67 CYP2C9 (0.71) SMN1; SMN2HPGDCYP2C9ALDH1A1LMNA
SCHEMBL1520603 0.66 MTNR1A (0.54) BCAT2F9F10PLAUMTNR1A
SCHEMBL9727033 0.66 TDP1 (0.58) HPGDALDH1A1NPC1LMNAKMT2A
SCHEMBL9727031 0.66 TDP1 (0.58) HPGDALDH1A1NPC1LMNAKMT2A
SCHEMBL20438782 0.65 ALDH1A1 (0.77) SMN1; SMN2HPGDCYP2C9ALDH1A1NPC1

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 BCAT2 959/4885LTB4R 1464/4885LTB4R2 1193/4885

“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.