SCHEMBL2083148

SCHEMBL2083148

CC(C)(C)c1cc(C(=O)OCc2ccccc2)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
MMP2 P08253 7/20 0.48
MMP12 P39900 7/20 0.48
MMP1 P03956 6/20 0.48
MMP9 P14780 5/20 0.48
TDP1 Q9NUW8 4/20 0.46
KMT2A Q03164 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HPGDS O60760 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9199134 0.82 MMP2 (0.51) HPGDMMP2MMP12MMP1MMP9
SCHEMBL6474329 0.80 MMP2 (0.52) MMP2MMP12MMP1MMP9TDP1
SCHEMBL574316 0.80 ALPL (0.52) HPGDMMP2KMT2AHPGDSALDH1A1
SCHEMBL21780162 0.79 HPGDS (0.50) HPGDKMT2AHPGDSALDH1A1LMNA
SCHEMBL24424132 0.79 HCAR2 (0.54) MMP2MMP12MMP1MMP9TDP1
SCHEMBL1455921 0.75 MAPK1 (0.61) LMNAMAPTGAAMAPK1
SCHEMBL29910392 0.74 HCAR2 (0.46) HPGDTSHRKMT2AHPGDSALDH1A1
SCHEMBL20173265 0.73 MMP2 (0.51) TSHRMMP2MMP12MMP1MMP9
SCHEMBL894643 0.72 ALPL (0.50) HPGDTSHR
SCHEMBL6415504 0.72 HPGDS (0.56) HPGDKMT2AHPGDSALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163756-B2 For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, LLC (US) 2012-04-24 US disclosed
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
EP-1835934-A2 ENZYME MODULATORS AND TREATMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 US disclosed
WO-2006071940-A2 ENZYME MODULATORS AND TREATMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-07-06 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-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK HPGD 1537/4885TSHR 3697/4885MMP2 207/4885
US-20080113967-A1 ENZYME MODULATORS AND TREATMENTS ABL2, BRAF, MAP3K1 HPGD 1451/4885TSHR 3699/4885MMP2 309/4885

“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.