SCHEMBL3879768

SCHEMBL3879768

N[C@H](CCCCN1CCOCC1)C(=O)N(O)S(=O)(=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 3/20 0.40
HPGDS O60760 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASR P41180 1/20 0.37
MAP4K4 O95819 1/20 0.37
MLNR O43193 1/20 0.37
PTGS2 P35354 2/20 0.37
GAA P10253 1/20 0.37
EPHX2 P34913 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
GRIN2B Q13224 1/20 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
SCHEMBL6864486 0.88 WNT3A (0.39) WNT3AHPGDSMEN1KMT2ACASR
SCHEMBL4372686 0.85 HPGDS (0.43) WNT3AHPGDSMLNR
SCHEMBL4372704 0.79 HPGDS (0.41) WNT3AHPGDSMAP4K4MLNR
SCHEMBL3869204 0.77 MEN1 (0.48) MEN1KMT2AHRH3
SCHEMBL1799153 0.75 EPHX2 (0.41) MEN1KMT2ACASRGAAEPHX2
SCHEMBL3882631 0.74 MEN1 (0.49) MEN1KMT2AHRH3
SCHEMBL3869256 0.74 SMN1; SMN2 (0.41) KMT2AGAAEPHX2PSEN1PSEN2
SCHEMBL1800301 0.73 MEN1 (0.41) MEN1KMT2APTGS2EPHX2PSEN1
SCHEMBL1797052 0.72 F2 (0.37) WNT3AMAP4K4PTGS2GAA
SCHEMBL1800801 0.70 PSEN1 (0.41) MEN1KMT2APTGS2GAAEPHX2

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 8 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

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 WNT3A 1169/4885HPGDS 607/4885MEN1 4431/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 WNT3A 4704/4885HPGDS 3557/4885MEN1 1083/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 WNT3A 1264/4885HPGDS 1604/4885MEN1 4302/4885

“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.