SCHEMBL4333378

SCHEMBL4333378

C#CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.64
MMP13 P45452 10/20 0.64
MMP3 P08254 8/20 0.64
TDP1 Q9NUW8 1/20 0.59
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
MMP9 P14780 7/20 0.51
MMP1 P03956 4/20 0.51
MMP7 P09237 1/20 0.51
ADAMTS4 O75173 1/20 0.48

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
SCHEMBL4333373 1.00 MMP2 (0.64) MMP2MMP13MMP3TDP1SLC1A3
SCHEMBL5001728 0.87 MMP2 (0.50) MMP2MMP13MMP3TDP1SLC1A3
SCHEMBL5001726 0.87 MMP2 (0.50) MMP2MMP13MMP3TDP1SLC1A3
SCHEMBL4347005 0.87 MMP13 (0.60) MMP2MMP13MMP3MMP9MMP1
SCHEMBL4346999 0.87 MMP13 (0.60) MMP2MMP13MMP3MMP9MMP1
SCHEMBL31630175 0.86 MMP2 (0.49) MMP2MMP13MMP3TDP1SLC1A3
SCHEMBL4342507 0.86 MMP2 (0.59) MMP2MMP13MMP3SLC1A3SLC1A2
SCHEMBL4342501 0.86 MMP2 (0.59) MMP2MMP13MMP3SLC1A3SLC1A2
SCHEMBL4564383 0.85 MMP2 (0.67) MMP2MMP13MMP3SLC1A3SLC1A2
SCHEMBL4564384 0.85 MMP2 (0.67) MMP2MMP13MMP3SLC1A3SLC1A2

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
WO-2009153569-A2 CB1 RECEPTOR MODULATORS 7TM PHARMA A/S (DK) 2009-12-23 WO disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US disclosed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 US disclosed
US-20060100216-A1 Novel B1 bradykinin receptor antagonists AMGEN INC. (US) 2006-05-11 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 (3 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-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 MMP2 1903/4885MMP13 1034/4885MMP3 412/4885
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 MMP2 3179/4885MMP13 1535/4885MMP3 1906/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB MMP2 2323/4885MMP13 2357/4885MMP3 2905/4885

“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.