SCHEMBL1799336

SCHEMBL1799336

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
SLC9A3 P48764 10/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31

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
SCHEMBL3874559 0.94 NPY4R (0.36) SLC9A3
SCHEMBL1799060 0.93 SLC9A3 (0.36) SLC9A3
SCHEMBL1800587 0.93 SLC9A3 (0.33) SLC9A3CA12CA1CA2CA9
SCHEMBL4293042 0.93 LTA4H (0.33) SLC9A3CA12CA1CA2CA9
SCHEMBL4377327 0.90 F2 (0.39) F2PRSS1PRSS2PRSS3ST14
SCHEMBL4370906 0.89 SCN9A (0.36) F2PRSS1PRSS2PRSS3ST14
SCHEMBL4372334 0.88 LTA4H (0.40)
SCHEMBL1800732 0.86 MAP2K1 (0.33) CA12CA1CA2CA9
SCHEMBL3875819 0.84 SLC9A3 (0.41) SLC9A3CA12CA1CA2CA9
SCHEMBL1800832 0.83 F2 (0.37) F2PRSS1PRSS2PRSS3ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US claimed
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 EP claimed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 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 F2 2817/4885PRSS1 198/4885PRSS2 511/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 F2 3029/4885PRSS1 40/4885PRSS2 148/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 F2 2803/4885PRSS1 322/4885PRSS2 686/4885

“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.