SCHEMBL2702104

SCHEMBL2702104

CN(C)c1ccc2cc(S(=O)(=O)NC(CCCNC(=O)O)C(=O)NCc3ccccc3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 5/20 0.51
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
PADI6 Q6TGC4 1/20 0.51
PADI4 Q9UM07 1/20 0.51
PADI2 Q9Y2J8 1/20 0.51
NPY5R Q15761 2/20 0.44
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP14 P50281 2/20 0.42
ADAM10 O14672 1/20 0.42
ADAM17 P78536 1/20 0.42
POLB P06746 3/20 0.42
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL10026328 0.91 PDE4A (0.50) BMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL10026322 0.91 PDE4A (0.51) BMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL2703295 0.90 PDE4A (0.51) BMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL28104364 0.90 PDE4A (0.49) BMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL2703298 0.90 PDE4A (0.51) BMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL16124204 0.90 MMP2 (0.56) BMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL27926558 0.89 PDE4A (0.47) BMP1PDE4APDE4BPDE4CPDE4D
SCHEMBL2701630 0.81 PADI4 (0.73) PDE4APDE4BPDE4CPDE4DPADI6
SCHEMBL7299650 0.74 NPY5R (0.52) NPY5RMMP2MMP9MMP14POLB
SCHEMBL7297288 0.74 NPY5R (0.52) NPY5RMMP2MMP9MMP14POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969333-B2 Therapeutic compositions and methods THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-03 US disclosed
US-20140288059-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2014-09-25 US disclosed
US-8710039-B2 Therapeutic compositions and methods THE PENN STATE RESEARCH FOUNDATION (US) 2014-04-29 US disclosed
WO-2012061390-A2 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2012-05-10 WO disclosed
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2012-05-03 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 (2 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-20140288059-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 BMP1 3928/4885PDE4A 12/4885PDE4B 13/4885
US-20120108562-A1 THERAPEUTIC COMPOSITIONS AND METHODS PADI4, PADI2, PADI3 BMP1 3928/4885PDE4A 12/4885PDE4B 13/4885

“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.