SCHEMBL851962

SCHEMBL851962

CC(C)[C@@H](N)[C@@](O)(NC(=O)CCCc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL10509298 0.85 TRPV1 (0.46) ALDH1A1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL7431314 0.85 HPGD (0.41) ALDH1A1KMT2ALMNAHPGDSMN1; SMN2
SCHEMBL5807162 0.85 HPGD (0.52) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL5057819 0.85 HPGD (0.52) ALDH1A1NPC1RAB9ALMNAMAPT
SCHEMBL7435235 0.82 ALDH1A1 (0.54) ALDH1A1RAB9AKMT2AHPGD
SCHEMBL11412947 0.78 HDAC2 (0.46) ALDH1A1RAB9AKMT2AMEN1MAPT
SCHEMBL7717557 0.74 TSHR (0.51) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL8770332 0.73 TSHR (0.53) ALDH1A1NPC1RAB9AKMT2AMEN1
SCHEMBL5812287 0.73 MAPT (0.42) ALDH1A1NPC1RAB9AKMT2ALMNA
SCHEMBL22570415 0.71 HDAC1 (0.66) ALDH1A1NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP VRIJE UNIVERSITEIT BRUSSEL (BE) 2012-05-10 US disclosed
EP-2432800-A2 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP Université Joseph Fourier (FR) 2012-03-28 EP disclosed
WO-2010133806-A2 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP UNIVERSITE JOSEPH FOURIER (FR) 2010-11-25 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-20120115163-A1 MARKED PEPTIDES AND USE THEREOF FOR ASSAYING CIRCULATING IRAP IAPP, ANPEP, ENPEP ALDH1A1 4041/4885NPC1 3219/4885RAB9A 1876/4885

“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.