SCHEMBL3874559

SCHEMBL3874559

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 13/20 0.36
NPY1R P25929 7/20 0.36
NPY2R P49146 5/20 0.35
NPY5R Q15761 5/20 0.35
SLC9A3 P48764 2/20 0.33
PCNA P12004 2/20 0.33

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
SCHEMBL1799336 0.94 F2 (0.34) SLC9A3
SCHEMBL1800587 0.92 SLC9A3 (0.33) SLC9A3
SCHEMBL1799060 0.92 SLC9A3 (0.36) SLC9A3
SCHEMBL4293042 0.92 LTA4H (0.33) SLC9A3
SCHEMBL4372334 0.89 LTA4H (0.40)
SCHEMBL1800732 0.85 MAP2K1 (0.33)
SCHEMBL4370906 0.83 SCN9A (0.36)
SCHEMBL4377327 0.83 F2 (0.39)
SCHEMBL4375795 0.82 TBXA2R (0.34)
SCHEMBL4371687 0.81 SMN1; SMN2 (0.36)

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
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 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 NPY4R 4209/4885NPY1R 2930/4885NPY2R 3716/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 NPY4R 4819/4885NPY1R 4547/4885NPY2R 4793/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 NPY4R 3571/4885NPY1R 2535/4885NPY2R 3035/4885

“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.