SCHEMBL6501031

SCHEMBL6501031

COC(=O)NC(Cc1ccc([N+](=O)[O-])c2ccccc12)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.44
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
DNMT1 P26358 1/20 0.40
PTPN1 P18031 2/20 0.40
FBP1 P09467 1/20 0.40
ALOX15 P16050 1/20 0.40
ACE P12821 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL6504000 0.84 TACR1 (0.39) KMT2AALDH1A1CTSBTDP1AKR1C4
SCHEMBL2780885 0.77 MME (0.60) KMT2AALDH1A1TDP1ACEMMP2
SCHEMBL6501688 0.77 MAPT (0.49) KMT2AALDH1A1CTSBTDP1MAPT
SCHEMBL6501690 0.77 MAPT (0.49) KMT2AALDH1A1CTSBTDP1MAPT
SCHEMBL7420624 0.76 KDM4A (0.54) KDM4AKMT2AALDH1A1MAPTMEN1
SCHEMBL6773482 0.76 KDM4A (0.54) KDM4AKMT2AALDH1A1MAPTMEN1
SCHEMBL649126 0.75 ACE (0.53) KDM4ACTSBPTPN1ACE
SCHEMBL30829401 0.75 ACE (0.53) KDM4ACTSBPTPN1ACE
SCHEMBL648928 0.75 ACE (0.53) KDM4ACTSBPTPN1ACE
SCHEMBL30829406 0.75 ACE (0.53) KDM4ACTSBPTPN1ACE

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-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO disclosed
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 US disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 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 (3 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 KDM4A 2444/4885KMT2A 3246/4885ALDH1A1 299/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D KDM4A 3951/4885KMT2A 2889/4885ALDH1A1 3095/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D KDM4A 3951/4885KMT2A 2889/4885ALDH1A1 3095/4885

“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.