SCHEMBL627104

SCHEMBL627104

C=CCN[C@H](CCC(N)=O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
ALOX15 P16050 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
FOLH1 Q04609 3/20 0.36
RIMKLA Q8IXN7 1/20 0.36
NAALAD2 Q9Y3Q0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GGT1 P19440 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
GNPAT O15228 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
SCHEMBL21226 1.00 KMT2A (0.43) KMT2AALOX15BLMPMP22MMP2
SCHEMBL21225 1.00 KMT2A (0.43) KMT2AALOX15BLMPMP22MMP2
SCHEMBL910807 0.85 FOLH1 (0.52) KMT2ABLMFOLH1RIMKLANAALAD2
SCHEMBL910825 0.85 FOLH1 (0.52) KMT2ABLMFOLH1RIMKLANAALAD2
SCHEMBL910826 0.85 FOLH1 (0.52) KMT2ABLMFOLH1RIMKLANAALAD2
Hydrochloric Acid SCHEMBL8726781 0.84 FOLH1 (0.50) KMT2ABLMFOLH1RIMKLANAALAD2
Hydrochloric Acid SCHEMBL8726784 0.84 FOLH1 (0.50) KMT2ABLMFOLH1RIMKLANAALAD2
SCHEMBL27683390 0.84 FOLH1 (0.50) KMT2ABLMFOLH1RIMKLANAALAD2
SCHEMBL10972602 0.81 ECE1 (0.39) KMT2ACA2CA1TSHRMAPT
SCHEMBL30787971 0.81 GGT1 (0.43) FOLH1RIMKLANAALAD2GGT1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8357300-B2 Methods and materials for selective boron adsorption from aqueous solution HYDRANAUTICS (US) 2013-01-22 US disclosed
US-20120037565-A1 Methods and Materials for Selective Boron Adsorption from Aqueous Solution HYDRANAUTICS (US) 2012-02-16 US disclosed
EP-0945119-A2 Calcium phosphate cements and calcium phosphate cement compositions NGK SPARK PLUG CO., LTD (JP) 1999-09-29 EP disclosed
WO-1996019431-A1 RESOLUTION OF IBUPROFEN USING A N-ALKYL-D-GLUCAMINE F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 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 (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-20120037565-A1 Methods and Materials for Selective Boron Adsorption from Aqueous Solution BDKRB1, HBB, SLC2A1 KMT2A 1926/4885ALOX15 3394/4885BLM 364/4885

“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.