SCHEMBL3869256

SCHEMBL3869256

N[C@H](CCCCN1CCOCC1)C(=O)N(O)S(=O)(=O)c1ccc(Oc2ccccc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MET P08581 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR7 P34969 2/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
TACR2 P21452 1/20 0.38
GAA P10253 1/20 0.38
NFE2L2 Q16236 1/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL6755860 0.88 SMN1; SMN2 (0.40) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL3869204 0.83 MEN1 (0.48) SMN1; SMN2ALDH1A1KDM4EKMT2ATACR2
SCHEMBL1800301 0.83 MEN1 (0.41) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL1801848 0.82 MAPK1 (0.47) SMN1; SMN2ALDH1A1KDM4EHTTKMT2A
SCHEMBL1800801 0.82 PSEN1 (0.41) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL1799153 0.81 EPHX2 (0.41) SMN1; SMN2EPHX2HTTKMT2AGAA
SCHEMBL3882631 0.81 MEN1 (0.49) ALDH1A1KDM4EHTR7KMT2ATACR2
SCHEMBL4371687 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MMP2MMP13
SCHEMBL3869912 0.77 MAPK1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3879768 0.74 WNT3A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A

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 10 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-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
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
EP-1461313-A1 HUMAN ADAM-10 INHIBITORS Exelixis, Inc. (US) 2004-09-29 EP disclosed
WO-2003051825-A1 HUMAN ADAM-10 INHIBITORS EXELIXIS, INC. (US) 2003-06-26 WO 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 SMN1; SMN2 4037/4885PSEN1 482/4885PSEN2 1104/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 SMN1; SMN2 4470/4885PSEN1 119/4885PSEN2 459/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 SMN1; SMN2 4368/4885PSEN1 558/4885PSEN2 1122/4885

“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.