SCHEMBL1467589

SCHEMBL1467589

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.51
MMP9 P14780 2/20 0.51
MMP3 P08254 1/20 0.51
MMP7 P09237 1/20 0.51
NR1H2 P55055 3/20 0.45
NR1H3 Q13133 1/20 0.45
MMP13 P45452 1/20 0.45
HSD11B1 P28845 2/20 0.45
GPR119 Q8TDV5 3/20 0.44
SETD7 Q8WTS6 1/20 0.43
STS P08842 1/20 0.42
TGFBR1 P36897 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
SCHEMBL1467588 1.00 MMP1 (0.51) MMP1MMP9MMP3MMP7NR1H2
SCHEMBL27727372 0.87 MMP1 (0.56) MMP1MMP9MMP3MMP7NR1H2
SCHEMBL5750486 0.84 L3MBTL1 (0.47) HSD11B1
SCHEMBL12965960 0.83 MMP1 (0.46) MMP1MMP9MMP3MMP7MMP13
SCHEMBL1467927 0.83 USP30 (0.45) MMP1MMP9MMP3MMP7NR1H2
SCHEMBL1467926 0.83 USP30 (0.45) MMP1MMP9MMP3MMP7NR1H2
SCHEMBL2378015 0.82 TGM2 (0.54) GPR119
SCHEMBL15919223 0.81 MMP1 (0.48) MMP1MMP9MMP3MMP7NR1H2
SCHEMBL15919202 0.81 MMP1 (0.48) MMP1MMP9MMP3MMP7NR1H2
SCHEMBL15919201 0.81 MMP1 (0.48) MMP1MMP9MMP3MMP7NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268822-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-7732444-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
EP-2123647-A1 2-(amino-substituted)-4-phenyl pyrimidines useful for treating inflammatory diseases Millennium Pharmaceuticals, Inc. (US) 2009-11-25 EP disclosed
EP-1701944-B1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARM INC (US) 2009-07-29 EP disclosed
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2006-02-23 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 (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-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES PRKCZ, PRKCQ, PRKCE MMP1 3654/4885MMP9 3546/4885MMP3 3962/4885
US-20060040968-A1 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases PRKCZ, PRKCQ, PRKCE MMP1 3654/4885MMP9 3546/4885MMP3 3962/4885

“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.