SCHEMBL3875615

SCHEMBL3875615

NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.62
MMP9 P14780 9/20 0.62
SCN9A Q15858 2/20 0.51
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
KCNT1 Q5JUK3 1/20 0.48
KCNA5 P22460 1/20 0.48
KEAP1 Q14145 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MPO P05164 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
ADAM17 P78536 2/20 0.46

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
SCHEMBL4377727 0.82 MMP2 (0.59) MMP2MMP9SCN9ACA12CA1
SCHEMBL1797408 0.77 MMP1 (0.40) MMP2MMP9LMNAADAM17
SCHEMBL6757287 0.74 MMP1 (0.46) MMP2MMP9LMNAADAM17SMN1; SMN2
SCHEMBL4382976 0.73 NR3C1 (0.56) MMP2MMP9KEAP1LMNA
SCHEMBL1800017 0.73 MMP2 (0.44) MMP2MMP9LMNAADAM17
SCHEMBL6278961 0.73 CA12 (0.49) MMP2MMP9CA12CA1CA9
SCHEMBL4371642 0.73 PTGES (0.48) MMP2MMP9CA12CA1CA9
SCHEMBL4371638 0.73 PTGES (0.48) MMP2MMP9CA12CA1CA9
SCHEMBL3788575 0.72 KDM4E (0.54) KDM4EMEN1LMNAMPOMAPT
SCHEMBL3791138 0.72 KDM4E (0.54) KDM4EMEN1LMNAMPOMAPT

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-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US 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-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 MMP2 203/4885MMP9 82/4885SCN9A 1812/4885

“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.