SCHEMBL1802607

SCHEMBL1802607

NCCCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.52
MMP9 P14780 5/20 0.52
MMP13 P45452 4/20 0.50
MMP7 P09237 2/20 0.50
ADAM17 P78536 3/20 0.48
ADAM10 O14672 2/20 0.48
ADAM8 P78325 2/20 0.48
MMP12 P39900 1/20 0.48
MMP14 P50281 1/20 0.48
MMP1 P03956 4/20 0.48
ADAMTS4 O75173 1/20 0.48
ADAMTS1 Q9UHI8 1/20 0.48
ADAMTS7 Q9UKP4 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
BMP1 P13497 4/20 0.46
MMP3 P08254 1/20 0.46
SCN9A Q15858 1/20 0.45

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
SCHEMBL1800019 0.90 MMP2 (0.62) MMP2MMP9MMP13MMP7ADAM17
SCHEMBL7413144 0.85 BMP1 (0.60) MMP2MMP9MMP13ADAM17ADAM10
SCHEMBL4374935 0.84 BCL2L1 (0.47) MMP2MMP9MMP13MMP12MMP14
SCHEMBL4377322 0.84 ADAM17 (0.56) MMP2MMP9MMP13MMP7ADAM17
SCHEMBL4290532 0.82 ADAM17 (0.50) MMP2MMP9MMP13MMP7ADAM17
SCHEMBL7413161 0.82 MMP2 (0.53) MMP2MMP9MMP13MMP7ADAM17
SCHEMBL7409720 0.82 MMP9 (0.60) MMP2MMP9MMP13MMP7ADAM17
SCHEMBL3869082 0.81 MMP2 (0.42) MMP2MMP9MMP13ADAM17ADAM10
SCHEMBL6861072 0.80 MMP13 (0.44) MMP2MMP9MMP13MMP7ADAM17
SCHEMBL1799495 0.80 ADAM17 (0.47) MMP2MMP9MMP13MMP7ADAM17

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
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-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

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-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MMP2 203/4885MMP9 82/4885MMP13 97/4885

“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.