SCHEMBL5337652

SCHEMBL5337652

Nc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
LMNA P02545 1/20 0.69
MAPK1 P28482 1/20 0.69
MMP13 P45452 1/20 0.69
NPC1 O15118 1/20 0.67
HSP90AA1 P07900 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
HSD17B10 Q99714 1/20 0.62
TSHR P16473 3/20 0.62
HPGD P15428 2/20 0.62
TP53 P04637 1/20 0.60
CRHBP P24387 1/20 0.60
RECQL P46063 1/20 0.60
CRHR2 Q13324 1/20 0.60

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
SCHEMBL108263 0.87 ALDH1A1 (0.92) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL8298678 0.87 HSP90AA1 (0.68) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL6941709 0.87 HPGD (0.64) ALDH1A1MEN1KMT2ALMNAMAPK1
Hydrochloric Acid SCHEMBL8300980 0.86 HPGD (0.63) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL30829104 0.85 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL8296848 0.84 MEN1 (0.54) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL8297231 0.84 PKM (0.56) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL27480077 0.83 TDP1 (0.57) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL5338096 0.82 PKM (0.77) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL5216278 0.82 HSD17B10 (0.62) ALDH1A1MEN1KMT2ALMNAMAPK1

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-6995151-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-07 US claimed
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 US claimed
US-7214712-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-05-08 US disclosed
US-6995151-B2 Isophthalic acid derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-07 US disclosed
US-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE C 2006-02-02 US disclosed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors BARVIAN NICOLE CHANTEL (US) 2002-10-24 US 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 (4 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-20060025396-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP11, MMP3 ALDH1A1 1330/4885MEN1 3554/4885KMT2A 3382/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 ALDH1A1 1764/4885MEN1 4353/4885KMT2A 1264/4885
US-20020156061-A1 Isophthalic acid derivatives as matrix metalloproteinase inhibitors MMP13, MMP1, MMP11 ALDH1A1 273/4885MEN1 4185/4885KMT2A 2496/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 ALDH1A1 878/4885MEN1 4110/4885KMT2A 1331/4885

“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.