SCHEMBL3880178

SCHEMBL3880178

COc1cc(C)cc(COc2ccc(S(=O)(=O)CC(=O)C3CCC4(CC3)OCCO4)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.42
USP2 O75604 1/20 0.41
MMP13 P45452 5/20 0.39
MMP2 P08253 3/20 0.39
MMP3 P08254 3/20 0.39
MMP9 P14780 2/20 0.39
ADAM17 P78536 2/20 0.39
MMP17 Q9ULZ9 2/20 0.39
MMP1 P03956 3/20 0.38
MMP7 P09237 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3883072 0.83 FFAR1 (0.47) FFAR1SPHK1
SCHEMBL3881178 0.83 MMP13 (0.47) FFAR1USP2MMP13MMP2MMP3
SCHEMBL3879982 0.81 MMP13 (0.46) FFAR1USP2MMP13MMP2MMP3
SCHEMBL3883913 0.79 MMP13 (0.38) USP2MMP13MMP2MMP3MMP9
SCHEMBL3883917 0.79 MMP13 (0.38) USP2MMP13MMP2MMP3MMP9
SCHEMBL3880805 0.79 MMP2 (0.65) USP2MMP13MMP2MMP3MMP9
SCHEMBL3880971 0.76 PARP10 (0.44) FFAR1
SCHEMBL3891674 0.70 PARP10 (0.47) FFAR1ALDH1A1
SCHEMBL3882358 0.69 MMP2 (0.45) FFAR1MMP13MMP2MMP3ADAM17
SCHEMBL3889770 0.68 MMP2 (0.44) FFAR1MMP13MMP2MMP3MMP9

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-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
EP-1431285-B1 REVERSE HYDROXAMIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2009-01-07 EP disclosed
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia STUDOR S.A. (LU) 2004-12-02 US disclosed
EP-1431285-A1 REVERSE HYDROXAMIC ACID DERIVATIVES Kaken Pharmaceutical Co., Ltd. (JP) 2004-06-23 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-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia TNF, RNASE1, IFNAR1 FFAR1 239/4885USP2 967/4885MMP13 60/4885

“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.