SCHEMBL4288103

SCHEMBL4288103

COCCN/C(=N/C#N)N1CCC(CC(C(N)=O)N(O)S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.41
MMP2 P08253 5/20 0.41
MMP9 P14780 5/20 0.41
MMP13 P45452 5/20 0.41
MMP8 P22894 3/20 0.41
MMP1 P03956 5/20 0.38
MMP14 P50281 2/20 0.38
MMP12 P39900 1/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL4288106 1.00 MMP3 (0.41) MMP3MMP2MMP9MMP13MMP8
SCHEMBL4374211 0.86 SLC9A3 (0.35) MMP13MMP1MEN1KMT2A
SCHEMBL1800637 0.81 ADAMTS7 (0.48) MMP3MMP2MMP9MMP13MMP8
SCHEMBL1800636 0.81 ADAMTS7 (0.48) MMP3MMP2MMP9MMP13MMP8
SCHEMBL4371638 0.74 PTGES (0.48) MMP3MMP2MMP9MMP13MMP8
SCHEMBL4371642 0.74 PTGES (0.48) MMP3MMP2MMP9MMP13MMP8
SCHEMBL4299320 0.74 KMT2A (0.39) MMP2MMP9MMP1SMN1; SMN2LMNA
SCHEMBL4265260 0.74 ADAMTS7 (0.47) MMP3MMP2MMP9MMP13MMP8
SCHEMBL4265263 0.74 ADAMTS7 (0.47) MMP3MMP2MMP9MMP13MMP8
SCHEMBL1800054 0.73 ADAMTS7 (0.48) MMP3MMP2MMP9MMP13MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 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 (1 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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 MMP3 169/4885MMP2 223/4885MMP9 97/4885

“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.