SCHEMBL7899962

SCHEMBL7899962

COc1ccc([N+](=O)[O-])c(C(=O)NCC2(C)NC(=O)NC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 2/20 0.46
ADAMTS5 Q9UNA0 2/20 0.46
MMP2 P08253 2/20 0.46
MMP3 P08254 2/20 0.46
MMP13 P45452 2/20 0.46
MMP12 P39900 1/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ADAM17 P78536 4/20 0.42
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM9 Q13443 1/20 0.41
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 1/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL7913239 0.86 ADAMTS5 (0.44) ADAMTS4ADAMTS5MMP2MMP3MMP13
SCHEMBL8381499 0.81 ADAMTS4 (0.47) ADAMTS4ADAMTS5MMP2MMP3MMP13
SCHEMBL12378819 0.73 MGLL (0.54) ADAMTS4ADAMTS5MMP2MMP3MMP13
SCHEMBL16840366 0.71 TAS1R3 (0.58) HPGDNPSR1KDM4EPOLBNPC1
SCHEMBL17570698 0.70 HPGD (0.49) HPGDSMN1; SMN2BACE1KDM4EAKR1B10
SCHEMBL268414 0.70 TDP1 (0.62) HPGDSMN1; SMN2BACE1KDM4EAKR1B10
SCHEMBL3247075 0.69 ADAMTS5 (0.48) ADAMTS4ADAMTS5MMP2MMP3MMP13
SCHEMBL269614 0.69 AKR1C3 (0.63) HPGDSMN1; SMN2KDM4EAKR1B10AKR1B1
SCHEMBL30580504 0.69 AKR1C3 (0.63) HPGDSMN1; SMN2KDM4EAKR1B10AKR1B1
SCHEMBL12326834 0.69 ALDH1A1 (0.53) HPGDSMN1; SMN2KDM4EAKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879890-B2 hydantoin derivatives that can inhibit matrix metalloproteinases and tumor necrosis factor alpha-converting enzyme, to prevent the release of tumor necrosis factor; treatment of septic shock, reperfusion injuries, meningitis, psoriasis, arthritis, inflammatory bowel disease and ankylosing spondylitis SCHERING CORPORATION (US) 2011-02-01 US disclosed
US-7687527-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-30 US disclosed
US-7683085-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-23 US disclosed
US-20090170875-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-07-02 US disclosed
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-05-28 US disclosed
US-20090111803-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-04-30 US disclosed
US-7504424-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-7488745-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-7482370-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-01-27 US disclosed
US-20070219218-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-09-20 US disclosed
US-20070219218-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-09-20 US disclosed
WO-2007084415-A2 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-07-26 WO disclosed
US-20060276506-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-12-07 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 (5 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-20090111803-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, MMP12, MMP8 ADAMTS4 19/4885ADAMTS5 13/4885MMP2 33/4885
US-20070219218-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ADAMTS4 7/4885ADAMTS5 4/4885MMP2 30/4885
US-20090170875-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADAMTS4 7/4885ADAMTS5 4/4885MMP2 30/4885
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ADAMTS4 7/4885ADAMTS5 4/4885MMP2 30/4885
US-20060276506-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ADAMTS4 7/4885ADAMTS5 4/4885MMP2 30/4885

“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.