SCHEMBL3880168

SCHEMBL3880168

C=C1CCC(/C=C/S(=O)(=O)c2ccc(OCc3cc(C)cc(C)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.41
ADAM17 P78536 2/20 0.38
MMP13 P45452 2/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP17 Q9ULZ9 1/20 0.38
AR P10275 1/20 0.37
CD4 P01730 2/20 0.35
MMP1 P03956 2/20 0.35
HDAC8 Q9BY41 1/20 0.34
PTPN1 P18031 2/20 0.34
PTPN2 P17706 1/20 0.34
PTPN11 Q06124 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL3880172 1.00 PARP10 (0.41) PARP10ADAM17MMP13MMP2MMP3
SCHEMBL3887431 0.93 FFAR1 (0.36) PARP10ADAM17MMP13MMP2MMP3
SCHEMBL3887435 0.93 FFAR1 (0.36) PARP10ADAM17MMP13MMP2MMP3
SCHEMBL3883094 0.89 ADAM17 (0.44) ADAM17MMP13MMP2MMP3MMP17
SCHEMBL3883096 0.89 ADAM17 (0.44) ADAM17MMP13MMP2MMP3MMP17
SCHEMBL3881118 0.77 ADAM17 (0.64) ADAM17MMP13MMP2MMP3MMP17
SCHEMBL3883913 0.76 MMP13 (0.38) ADAM17MMP13MMP2MMP3MMP17
SCHEMBL3880971 0.76 PARP10 (0.44) PARP10FFAR1
SCHEMBL3880883 0.75 MMP13 (0.47) PARP10ADAM17MMP13MMP2MMP3
SCHEMBL3884156 0.74 MMP2 (0.68) ADAM17MMP13MMP2MMP3MMP17

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 PARP10 2037/4885ADAM17 20/4885MMP13 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.