SCHEMBL1802616

SCHEMBL1802616

N#C/N=C(/NCCCC[C@@H](NS(=O)(=O)c1ccc(-c2cccc(F)c2)nc1)C(=O)NO)NC1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 8/20 0.41
BMP1 P13497 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
HPGDS O60760 1/20 0.39
MMP1 P03956 3/20 0.39
ADAM17 P78536 3/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS1 Q9UHI8 1/20 0.39
ADAMTS7 Q9UKP4 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
MMP7 P09237 1/20 0.38
MMP2 P08253 4/20 0.37
MMP9 P14780 4/20 0.37
MMP14 P50281 3/20 0.37
ADAM10 O14672 2/20 0.37
ADAM8 P78325 2/20 0.37
MMP12 P39900 1/20 0.37
MAP4K4 O95819 1/20 0.36

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
SCHEMBL11989266 1.00 SIRT5 (0.41) SIRT5BMP1SIRT2HPGDSMMP1
SCHEMBL1800984 0.89 ADAM17 (0.40) BMP1MMP1ADAM17ADAMTS4ADAMTS1
SCHEMBL1798298 0.88 ADAM17 (0.41) BMP1HPGDSMMP1ADAM17ADAMTS4
SCHEMBL1798434 0.87 ADAM17 (0.43) BMP1MMP1ADAM17ADAMTS4ADAMTS1
SCHEMBL4370883 0.85 WNT3A (0.37) MMP1ADAM17ADAMTS4ADAMTS1ADAMTS7
SCHEMBL3871098 0.79 HPGDS (0.37) SIRT5SIRT2HPGDSMMP2MMP9
SCHEMBL1800811 0.79 BMP1 (0.51) BMP1MMP1ADAM17ADAMTS4ADAMTS1
SCHEMBL4372679 0.79 MMP2 (0.47) HPGDSMMP1ADAM17ADAMTS4ADAMTS1
SCHEMBL4372697 0.79 MMP2 (0.46) BMP1HPGDSMMP1ADAM17ADAMTS4
SCHEMBL7174227 0.76 CA2 (0.34) HPGDSMMP1ADAM17ADAMTS4ADAMTS1

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 5 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-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US claimed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 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 (2 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 SIRT5 2105/4885BMP1 1863/4885SIRT2 3120/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 SIRT5 1543/4885BMP1 2810/4885SIRT2 1312/4885

“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.