SCHEMBL2631637

SCHEMBL2631637

O=C(O)CCc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
FFAR1 O14842 6/20 0.47
EPHX2 P34913 1/20 0.46
OPRD1 P41143 1/20 0.46
FFAR4 Q5NUL3 4/20 0.46
PPARG P37231 1/20 0.45
CASP3 P42574 2/20 0.44
KEAP1 Q14145 1/20 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
SCHEMBL3177417 0.88 KMT2A (0.62) KMT2AEPHX2OPRD1CASP3
SCHEMBL525564 0.88 KMT2A (0.59) KMT2AEPHX2OPRD1CASP3
SCHEMBL30640436 0.88 KMT2A (0.59) KMT2AEPHX2OPRD1CASP3
SCHEMBL5036302 0.87 KMT2A (0.52) KMT2AEPHX2OPRD1CASP3
SCHEMBL23270799 0.87 KMT2A (0.62) KMT2AEPHX2OPRD1
SCHEMBL24864773 0.86 KMT2A (0.52) KMT2AEPHX2OPRD1CASP3
SCHEMBL13852689 0.85 EPHX2 (0.58) KMT2AFFAR1EPHX2FFAR4CASP3
SCHEMBL2651902 0.85 KMT2A (0.60) KMT2AEPHX2PPARGCASP3
SCHEMBL118108 0.85 KMT2A (0.56) KMT2AEPHX2OPRD1CASP3
SCHEMBL29678978 0.85 KMT2A (0.56) KMT2AEPHX2OPRD1CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601188-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-10-18 EP disclosed
EP-2513091-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-12 EP disclosed
EP-2499132-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-02-15 EP disclosed
EP-2245027-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-04-25 EP disclosed
WO-2010117704-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed
WO-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 WO disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
EP-1896086-A1 HYDRAZIDE CONJUGATES AS IMAGING AGENTS Bristol-Myers Squibb Pharma Company (US) 2008-03-12 EP disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20070014721-A1 Hydrazide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. 2007-01-18 US disclosed
US-20070014721-A1 Hydrazide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. 2007-01-18 US disclosed
US-20070014721-A1 Hydrazide conjugates as imaging agents LANTHEUS MEDICAL IMAGING, INC. 2007-01-18 US disclosed
WO-2007005491-A1 HYDRAZIDE CONJUGATES AS IMAGING AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-01-11 WO disclosed
WO-2007005491-A1 HYDRAZIDE CONJUGATES AS IMAGING AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-01-11 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-20070014721-A1 Hydrazide conjugates as imaging agents CA14, CA13, CA1 KMT2A 2223/4885FFAR1 1737/4885EPHX2 675/4885

“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.