SCHEMBL4297273

SCHEMBL4297273

COCCN/C(=N/C#N)NCCCC[C@H](C(N)=O)N(O)S(=O)(=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.39
CA4 P22748 6/20 0.39
HPGDS O60760 2/20 0.35
MLNR O43193 2/20 0.35
LGMN Q99538 1/20 0.33
PIK3CA P42336 3/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
MAP4K4 O95819 2/20 0.32
SCN9A Q15858 1/20 0.32
WNT3A P56704 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
MAPT P10636 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 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
SCHEMBL7174227 0.84 CA2 (0.34) CA2CA4HPGDSMLNRPIK3CA
SCHEMBL1798434 0.82 ADAM17 (0.43)
SCHEMBL4542075 0.81 HPGDS (0.42) CA2CA4HPGDSMLNRMAP4K4
SCHEMBL4369622 0.78 MMP2 (0.35) CA2CA4HPGDSMLNRPIK3CA
SCHEMBL1800984 0.74 ADAM17 (0.40)
SCHEMBL4292057 0.73 TBXA2R (0.38) SCN9A
SCHEMBL6864486 0.73 WNT3A (0.39) HPGDSMLNRWNT3A
SCHEMBL1798298 0.72 ADAM17 (0.41) HPGDS
SCHEMBL11989266 0.71 SIRT5 (0.41) HPGDSMAP4K4
SCHEMBL1802616 0.71 SIRT5 (0.41) HPGDSMAP4K4

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 2 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 disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 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 (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 CA2 2383/4885CA4 1654/4885HPGDS 3557/4885

“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.