SCHEMBL3889770

SCHEMBL3889770

C=C1CCC(C(O)CS(=O)(=O)c2ccc(OCc3cc(C)cc(OC)c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MMP13 P45452 2/20 0.44
ADAM17 P78536 2/20 0.44
MMP17 Q9ULZ9 2/20 0.44
FFAR1 O14842 2/20 0.40
SPHK1 Q9NYA1 12/20 0.39
SPHK2 Q9NRA0 5/20 0.37
MMP9 P14780 1/20 0.36
PARP10 Q53GL7 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3880883 0.93 MMP13 (0.47) MMP2MMP3MMP13ADAM17MMP17
SCHEMBL3881640 0.88 ADAM17 (0.43) MMP2MMP3MMP13ADAM17MMP17
SCHEMBL3880925 0.85 ADAM17 (0.54) MMP2MMP3MMP13ADAM17MMP17
SCHEMBL3880990 0.85 MMP2 (0.63) MMP2MMP3MMP13ADAM17MMP17
SCHEMBL3881178 0.84 MMP13 (0.47) MMP2MMP3MMP13ADAM17MMP17
SCHEMBL3883072 0.82 FFAR1 (0.47) FFAR1SPHK1SPHK2PARP10
SCHEMBL3887844 0.81 ADAM17 (0.46) MMP2MMP3MMP13ADAM17MMP17
SCHEMBL3884156 0.78 MMP2 (0.68) MMP2MMP3MMP13ADAM17MMP17
SCHEMBL3887431 0.78 FFAR1 (0.36) MMP2MMP3MMP13ADAM17MMP17
SCHEMBL3887435 0.78 FFAR1 (0.36) MMP2MMP3MMP13ADAM17MMP17

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 MMP2 58/4885MMP3 55/4885MMP13 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.