Sugi Predict

Sugi Predict / Compounds / SCHEMBL437799

SCHEMBL437799

SCHEMBL437799

C[C@@H](CN(CC(=O)O)C[C@H](Cc1ccc(NC(=O)CBr)cc1)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CA1 P00915 6/20 0.37
▸ CA2 P00918 6/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA4 P22748 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPY5R Q15761 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 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
SCHEMBL443090 1.00 KMT2A (0.41) KMT2AATMCA1CA2CA12
SCHEMBL7170464 0.91 KMT2A (0.43) KMT2AATMCA1CA2CA12
SCHEMBL2538468 0.91 KMT2A (0.43) KMT2AATMCA1CA2CA12
SCHEMBL437717 0.90 KMT2A (0.40) KMT2AATMCA1CA2CA12
SCHEMBL17922623 0.87 KMT2A (0.36) KMT2AATMCA1CA2NPC1
SCHEMBL29356550 0.87 KMT2A (0.36) KMT2AATMCA1CA2MEN1
SCHEMBL443089 0.86 KMT2A (0.38) KMT2AATMCA1CA2CA12
SCHEMBL437797 0.86 KMT2A (0.38) KMT2AATMCA1CA2CA12
SCHEMBL437798 0.86 KMT2A (0.38) KMT2AATMCA1CA2CA12
SCHEMBL16801968 0.86 KMT2A (0.36) KMT2AATMCA1CA2NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents LEHMANN LUTZ (DE) 2012-03-15 — — US disclosed
US-20040208828-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic acid and derivatives thereof, process for their production and use for the production of pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-21 — — 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-20040208828-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic acid and derivatives thereof, process for their production and use for the production of pharmaceutical agents CYP4B1, CYP2B6, UGT2B7 KMT2A 2532/4885ATM 4798/4885CA1 2549/4885
US-20120064002-A1 Enantiomer-pure (4S,8S)- and (4R,8R)-4-p-Nitrobenzyl-8-methyl-3,6,9-triaza-3N,6N,9N-tricarboxymethyl-1,11-undecanedioic Acid and Derivatives Thereof, Process for their Production and Use for the Production of Pharmaceutical Agents CYP4B1, CYP2B6, UGT2B7 KMT2A 2467/4885ATM 4805/4885CA1 2551/4885

“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.