SCHEMBL4202178

SCHEMBL4202178

COCc1cc(COc2ccc(C3(C)CCN(C(C)C(=O)NO)C3=O)cc2)c2ccccc2n1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.81
MMP9 P14780 13/20 0.81
ADAM17 P78536 12/20 0.81
MMP1 P03956 10/20 0.81
MMP3 P08254 5/20 0.81
MMP7 P09237 4/20 0.81
MMP8 P22894 4/20 0.81
MMP13 P45452 4/20 0.81
MMP14 P50281 4/20 0.81
MMP15 P51511 1/20 0.81
MMP16 P51512 1/20 0.81
ADAM33 Q9BZ11 1/20 0.81
ADAM10 O14672 3/20 0.69

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
SCHEMBL4196761 0.91 ADAM17 (0.84) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6692506 0.90 ADAM17 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL10052499 0.90 ADAM17 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL5966106 0.90 ADAM17 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL2834283 0.90 ADAM17 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL4197086 0.87 MMP2 (0.78) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6627417 0.85 ADAM17 (1.00) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL4210099 0.84 ADAM17 (0.73) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL4214029 0.83 MMP2 (0.77) MMP2MMP9ADAM17MMP1MMP3
SCHEMBL6627454 0.83 ADAM17 (0.78) MMP2MMP9ADAM17MMP1MMP3

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-20090192191-A1 Substituted hydroxamic acid derivatives as tnf inhibitors CADILA HEALTHCARE LIMITED (IN) 2009-07-30 US claimed
WO-2005077937-A1 SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS TNF INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2005-08-25 WO claimed
US-20090192191-A1 Substituted hydroxamic acid derivatives as tnf inhibitors CADILA HEALTHCARE LIMITED (IN) 2009-07-30 US disclosed
WO-2005077937-A1 SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS TNF INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2005-08-25 WO 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-20090192191-A1 Substituted hydroxamic acid derivatives as tnf inhibitors TNF, TNFRSF1A, TIMP3 MMP2 4/4885MMP9 6/4885ADAM17 31/4885

“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.