SCHEMBL7907805

SCHEMBL7907805

NCC1(c2ccc(-c3ccccc3)cc2)NC(=O)NC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.50
MMP9 P14780 3/20 0.50
MMP3 P08254 2/20 0.50
ADAM17 P78536 2/20 0.49
CACNA1F O60840 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
SCN1A P35498 1/20 0.43
SCN4A P35499 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
CACNA1D Q01668 1/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN2A Q99250 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
SCHEMBL7907806 0.90 ADAM17 (0.58) MMP2MMP9ADAM17CACNA1FALDH1A1
Hydrochloric Acid SCHEMBL23354268 0.88 ADAM17 (0.56) MMP2MMP9ADAM17CACNA1FALDH1A1
SCHEMBL5955905 0.80 ADAM17 (0.50) MMP2ADAM17MMP8MMP14MMP17
SCHEMBL10112557 0.80 ADAM17 (0.41) MMP2MMP9ADAM17CYP3A4MMP8
SCHEMBL7900340 0.80 ADAM17 (0.41) MMP2MMP9ADAM17CYP3A4MMP8
SCHEMBL29873928 0.77 MMP13 (0.52) ADAM17ALDH1A1CYP3A4MMP8MMP14
SCHEMBL23367191 0.77 MMP13 (0.52) ADAM17ALDH1A1CYP3A4MMP8MMP14
Hydrochloric Acid SCHEMBL23354880 0.75 MMP13 (0.51) ADAM17ALDH1A1CYP3A4MMP8MMP14
Hydrochloric Acid SCHEMBL29873539 0.75 MMP13 (0.51) ADAM17ALDH1A1CYP3A4MMP8MMP14
SCHEMBL4123231 0.73 ADAM17 (0.62) MMP2MMP9ADAM17CACNA1FALDH1A1

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-1976849-B1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME (US) 2016-03-09 EP disclosed
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 MMP2 33/4885MMP9 17/4885MMP3 8/4885
US-20070219218-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 MMP2 30/4885MMP9 23/4885MMP3 11/4885
US-20090170875-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 MMP2 30/4885MMP9 23/4885MMP3 11/4885
US-20090137586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 MMP2 30/4885MMP9 23/4885MMP3 11/4885
US-20060276506-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 MMP2 30/4885MMP9 23/4885MMP3 11/4885

“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.