SCHEMBL4426537

SCHEMBL4426537

O=C(O)CC(=O)c1ccc(I)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.56
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 2/20 0.50
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
CES1 P23141 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PDPK1 O15530 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ERCC5 P28715 3/20 0.44
FEN1 P39748 3/20 0.44
PTPN1 P18031 2/20 0.43

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
SCHEMBL29249309 0.88 KMT2A (0.62) KMT2AMEN1CYP3A4HPGDKDM4E
SCHEMBL9352579 0.81 TSHR (0.60) TPMTKMT2AMEN1CYP3A4HPGD
SCHEMBL30552351 0.80 NR4A2 (0.65) TPMTKMT2AHPGDSMN1; SMN2CA1
SCHEMBL27745077 0.80 TPMT (0.48) TPMTKMT2AMEN1CYP3A4HPGD
SCHEMBL3860105 0.80 TPMT (0.48) TPMTKMT2AMEN1CYP3A4HPGD
SCHEMBL2715371 0.79 PTPN1 (0.58) KMT2AMEN1CYP3A4HPGDKDM4E
SCHEMBL5873119 0.78 GSK3B (0.61) TPMTKMT2AMEN1CYP3A4HPGD
SCHEMBL98540 0.78 KMT2A (0.80) KMT2AMEN1CYP3A4HPGDKDM4E
SCHEMBL4842224 0.77 NPC1 (0.73) KMT2AMEN1CYP3A4HPGDKDM4E
SCHEMBL4716770 0.77 ERCC5 (0.70) KMT2AMEN1CYP3A4HPGDKDM4E

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
CN-103189361-B Estrogenic agents and uses thereof ARAGON PHARMACEUTICALS, INC. (US) 2015-09-30 CN disclosed
US-8324401-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US disclosed
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-7592461-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1973890-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2008-10-01 EP disclosed
EP-1511751-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS ANTIVIRAL AGENTS NEOGENESIS PHARMACEUTICALS INC (US) 2008-03-19 EP disclosed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 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-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB1, NR3C1, NR5A1 TPMT 3929/4885KMT2A 4241/4885MEN1 3604/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 TPMT 4061/4885KMT2A 4002/4885MEN1 3500/4885

“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.