SCHEMBL6154929

SCHEMBL6154929

COc1ccc(Oc2ccc([N+](=O)[O-])cc2C([NH])=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.55
CTSL P07711 1/20 0.55
TBXA2R P21731 2/20 0.53
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
MAPT P10636 6/20 0.52
NPSR1 Q6W5P4 2/20 0.52
PKM P14618 2/20 0.52
PAX8 Q06710 2/20 0.52
NPC1 O15118 1/20 0.52
HSP90AA1 P07900 1/20 0.52
GAA P10253 3/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 5/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6590677 0.88 CTSV (0.67) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL1021641 0.86 CTSV (0.55) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL4929690 0.86 CTSV (0.55) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL6587408 0.86 CTSV (0.58) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL5315876 0.79 MAPT (0.73) TBXA2RMEN1KMT2AMAPTNPSR1
SCHEMBL4231911 0.79 ALDH1A1 (0.54) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL6757032 0.77 ALDH1A1 (0.55) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL21905001 0.77 MEN1 (0.51) CTSVCTSLTBXA2RMEN1KMT2A
SCHEMBL7780381 0.77 NPSR1 (0.70) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL9096671 0.76 TDP1 (0.59) CTSVCTSLTBXA2RMEN1KMT2A

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP CTSV 4734/4885CTSL 4452/4885TBXA2R 3729/4885

“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.