SCHEMBL2957417

SCHEMBL2957417

CC(COC(=O)Cl)c1ccc(C(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.44
KMT2A Q03164 2/20 0.39
VCAM1 P19320 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
CRHBP P24387 1/20 0.38
RAB9A P51151 1/20 0.38
CRHR2 Q13324 1/20 0.38
HPGD P15428 2/20 0.37
HSP90AA1 P07900 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HCAR3 P49019 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 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
SCHEMBL13049970 0.90 PDK1 (0.43) PDK1KMT2AVCAM1ALDH1A1MAPT
SCHEMBL2955997 0.87 KMT2A (0.51) PDK1KMT2AVCAM1ALDH1A1MAPT
SCHEMBL29887339 0.85 PDK1 (0.46) PDK1KMT2AVCAM1ALDH1A1MAPT
SCHEMBL2947165 0.85 PDK1 (0.46) PDK1KMT2AVCAM1ALDH1A1MAPT
SCHEMBL6687315 0.84 PDK1 (0.42) PDK1KMT2AVCAM1ALDH1A1MAPT
SCHEMBL6687317 0.84 PDK1 (0.42) PDK1KMT2AVCAM1ALDH1A1MAPT
SCHEMBL27606965 0.81 PDK1 (0.43) PDK1KMT2AVCAM1ALDH1A1MAPT
SCHEMBL6889360 0.80 HCAR3 (0.41) PDK1KMT2AVCAM1ALDH1A1MAPT
SCHEMBL26859 0.79 MAPT (0.35) PDK1KMT2AALDH1A1MAPTLMNA
SCHEMBL2061767 0.79 PDK1 (0.44) PDK1KMT2AVCAM1ALDH1A1MAPT

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-8445734-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2013-05-21 US disclosed
US-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2010-11-18 US disclosed
US-7759513-B2 Photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2010-07-20 US disclosed
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NIGU CHEMIE GMBH (DE) 2004-09-09 US disclosed
WO-2004074300-A2 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NIGU CHEMIE GMBH (DE) 2004-09-02 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 (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-20100292458-A1 NOVEL PHOTOLABILE PROTECTIVE GROUPS FOR IMPROVED PROCESSES TO PREPARE OLIGONUCLEOTIDE ARRAYS NT5C3B, NSUN2, ERCC4 PDK1 4013/4885KMT2A 2382/4885VCAM1 3546/4885
US-20040175741-A1 Novel photolabile protective groups for improved processes to prepare oligonucleotide arrays NT5C3B, NSUN2, DCLRE1B PDK1 3890/4885KMT2A 2530/4885VCAM1 3745/4885

“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.