SCHEMBL6358026

SCHEMBL6358026

CO[C@@H](OC(=O)[C@@H](N)CS)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.44
KMT2A Q03164 2/20 0.41
ANPEP P15144 1/20 0.39
ENPEP Q07075 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
MMP2 P08253 1/20 0.38
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC7A11 Q9UPY5 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL7944346 0.81 HCAR2 (0.47) KIF11KMT2AANPEPENPEPCYP1A2
SCHEMBL9717076 0.81 KIF11 (0.58) KIF11ANPEPENPEPCYP1A2CYP2D6
SCHEMBL10336616 0.78 KIF11 (0.43) KIF11KMT2AANPEPENPEPCYP1A2
SCHEMBL17540887 0.77 ALDH1A1 (0.52) CYP1A2SMN1; SMN2NPSR1TSHRALDH1A1
SCHEMBL28623093 0.76 KMT2A (0.47) KMT2AMEN1CYP3A4MAPK1PTGS1
SCHEMBL113808 0.75 CYP2D6 (0.46) KMT2ACYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL986067 0.75 KMT2A (0.48) KMT2ACYP2D6CYP3A4TSHRMAPK1
SCHEMBL286685 0.75 KMT2A (0.48) KMT2ACYP2D6CYP3A4TSHRMAPK1
SCHEMBL31097897 0.74 KMT2A (0.42) KMT2ACYP1A2CYP2D6MEN1
SCHEMBL4587552 0.74 KIF11 (0.39) KIF11ANPEPENPEPCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4960881-A REACTING AMINO ACID WITH ALPHA-CHLORINATED CARBONATE IN SOLVENT IN PRESENCE OF ACID SCAVENGER SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-10-02 US claimed
US-20050096456-A1 Compounds comprising pseudo-amino acids ADPRO TECH LIMITED (GB) 2005-05-05 US disclosed
US-20050090651-A1 Polymeric compounds ADPROTECH LIMITED CESTERFORD RESEARCH PARK, LITTLE CHESTERFORD SAFFR (GB) 2005-04-28 US disclosed
EP-1487860-A1 COMPOUNDS COMPRISING PSEUDO-AMINO ACIDS AdProTech Limited (GB) 2004-12-22 EP disclosed
EP-1432727-A2 TRIMERIC CONJUGATES OF PEPTIDIC DERIVATIVE AdProTech Limited (GB) 2004-06-30 EP disclosed
WO-2003080650-A1 COMPOUNDS COMPRISING PSEUDO-AMINO ACIDS ADPROTECH LIMITED (GB) 2003-10-02 WO disclosed
WO-2003027137-A2 TRIMERIC CONJUGATES OF PEPTIDIC DERIVATIVE ADPROTECH LIMITED (GB) 2003-04-03 WO disclosed
US-4960881-A REACTING AMINO ACID WITH ALPHA-CHLORINATED CARBONATE IN SOLVENT IN PRESENCE OF ACID SCAVENGER SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1990-10-02 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 (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-20050096456-A1 Compounds comprising pseudo-amino acids QPCTL, LNPEP, QPCT KIF11 4586/4885KMT2A 1913/4885ANPEP 10/4885
US-20050090651-A1 Polymeric compounds TST, TMT1A, CBS KIF11 3692/4885KMT2A 3377/4885ANPEP 2373/4885

“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.