SCHEMBL1800301

SCHEMBL1800301

N[C@H](CCCCN1CCOCC1)C(=O)N(O)S(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SCN9A Q15858 1/20 0.38
EPHX2 P34913 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
TACR2 P21452 1/20 0.37
PTGS2 P35354 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 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
SCHEMBL1800801 0.93 PSEN1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2EPHX2
SCHEMBL3869204 0.90 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL3882631 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1NPSR1SCN9A
SCHEMBL3869260 0.87 KMT2A (0.41) MEN1KMT2AALDH1A1SMN1; SMN2TACR2
SCHEMBL1799153 0.87 EPHX2 (0.41) MEN1KMT2ASMN1; SMN2MAPTEPHX2
SCHEMBL3869256 0.83 SMN1; SMN2 (0.41) KMT2AALDH1A1SMN1; SMN2EPHX2HRH3
SCHEMBL1800363 0.83 MEN1 (0.37) MEN1KMT2ASCN9AMMP2MMP9
SCHEMBL4372629 0.80 PKM (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1801848 0.78 MAPK1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1799336 0.78 F2 (0.34) ALDH1A1RAB9A

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
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 US claimed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US 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 (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-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 MEN1 4431/4885KMT2A 3600/4885ALDH1A1 824/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MEN1 4302/4885KMT2A 3285/4885ALDH1A1 846/4885

“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.