SCHEMBL1799153

SCHEMBL1799153

N[C@H](CCCCN1CCOCC1)C(=O)N(O)S(=O)(=O)c1cc(F)c(Oc2cccnc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
NFE2L2 Q16236 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CASR P41180 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL1800301 0.87 MEN1 (0.41) EPHX2SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL1800801 0.85 PSEN1 (0.41) EPHX2SMN1; SMN2GAAMEN1KMT2A
SCHEMBL3869256 0.81 SMN1; SMN2 (0.41) EPHX2NFE2L2SMN1; SMN2GAAHTT
SCHEMBL1800732 0.80 MAP2K1 (0.33) NAMPTMEN1MAPTKMT2ACA1
SCHEMBL3869204 0.77 MEN1 (0.48) SMN1; SMN2MEN1MAPTKMT2AHRH3
SCHEMBL3869260 0.75 KMT2A (0.41) SMN1; SMN2MEN1KMT2A
SCHEMBL3879768 0.75 WNT3A (0.40) EPHX2GAAMEN1KMT2AHRH3
SCHEMBL3882631 0.74 MEN1 (0.49) MEN1KMT2AHRH3CA1CA2
SCHEMBL4293042 0.69 LTA4H (0.33) USP2CA1CA2CA9
SCHEMBL6755860 0.69 SMN1; SMN2 (0.40) EPHX2NFE2L2SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US claimed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 EPHX2 206/4885NFE2L2 3102/4885SMN1; SMN2 4037/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 EPHX2 2178/4885NFE2L2 4878/4885SMN1; SMN2 4470/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 EPHX2 541/4885NFE2L2 2039/4885SMN1; SMN2 4368/4885

“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.