SCHEMBL4293042

SCHEMBL4293042

N=C(N)NCCC[C@@H](N)C(=O)N(O)S(=O)(=O)c1cc(F)c(Oc2ccccc2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ CA2 P00918 7/20 0.33
▸ MMP2 P08253 7/20 0.33
▸ CA12 O43570 6/20 0.33
▸ CA1 P00915 6/20 0.33
▸ CA9 Q16790 6/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ SLC12A2 P55011 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ SLC9A3 P48764 1/20 0.32
▸ MMP9 P14780 3/20 0.32

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 0.93 F2 (0.34) CA2CA12CA1CA9ALDH1A1
SCHEMBL3874559 0.92 NPY4R (0.36) SLC9A3
SCHEMBL4372334 0.92 LTA4H (0.40) LTA4HMMP2MMP9MMP14MMP13
SCHEMBL1800587 0.91 SLC9A3 (0.33) CA2CA12CA1CA9SLC9A3
SCHEMBL1799060 0.91 SLC9A3 (0.36) MMP2SLC9A3MMP9MMP14MMP12
SCHEMBL1800732 0.90 MAP2K1 (0.33) CA2CA12CA1CA9
SCHEMBL4371687 0.89 SMN1; SMN2 (0.36) LTA4HEGLN2CA2MMP2CA12
SCHEMBL4375791 0.87 MMP2 (0.42) LTA4HEGLN2CA2MMP2CA12
SCHEMBL4370906 0.82 SCN9A (0.36) CA2CA12CA1CA9ALDH1A1
SCHEMBL4377327 0.82 F2 (0.39) CA2MMP2CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 — — US claimed
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
EP-1461313-B1 HUMAN ADAM-10 INHIBITORS EXELIXIS INC (US) 2009-08-05 — — EP 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 (1 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-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 LTA4H 1842/4885EGLN2 3526/4885CA2 2383/4885

“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.

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