SCHEMBL4290484

SCHEMBL4290484

CCCN/C(=N\C#N)NCCCC[C@H](C(N)=O)N(O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
EPOR P19235 2/20 0.37
MMP2 P08253 10/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
CA12 O43570 4/20 0.37
MMP14 P50281 6/20 0.37
MMP9 P14780 5/20 0.37
MMP13 P45452 5/20 0.37
MMP3 P08254 4/20 0.37
MMP1 P03956 4/20 0.37
MMP12 P39900 1/20 0.37
MMP8 P22894 4/20 0.36
MMP7 P09237 1/20 0.36
MMP16 P51512 2/20 0.35
ADAM17 P78536 1/20 0.35
BMP1 P13497 1/20 0.35
NR3C1 P04150 3/20 0.35

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
SCHEMBL4292057 0.92 TBXA2R (0.38) LMNAMMP2MMP14MMP9NR3C1
SCHEMBL4380644 0.81 MMP2 (0.43) EPORMMP2CA1CA2CA9
SCHEMBL1799173 0.79 MMP2 (0.41) LMNAHTTMMP2CA1CA2
SCHEMBL1801225 0.78 BMP1 (0.51) MMP2MMP14MMP9MMP13MMP3
SCHEMBL1800017 0.77 MMP2 (0.44) LMNAHTTEPORMMP2MMP14
SCHEMBL4382917 0.76 MMP2 (0.40) LMNAHTTEPORMMP2MMP14
SCHEMBL4299320 0.74 KMT2A (0.39) LMNAMMP2CA9CA12MMP9
SCHEMBL4374166 0.72 MMP2 (0.45) MMP2MMP14MMP9MMP13MMP3
SCHEMBL4288106 0.72 MMP3 (0.41) LMNAHTTMMP2MMP14MMP9
SCHEMBL4288103 0.72 MMP3 (0.41) LMNAHTTMMP2MMP14MMP9

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 LMNA 1700/4885HTT 4332/4885EPOR 4688/4885

“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.