SCHEMBL6737986

SCHEMBL6737986

COC(=O)C1(CSCCCOc2ccc(OC)cc2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 4/20 0.49
▸ MMP2 P08253 3/20 0.49
▸ MMP8 P22894 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.44
▸ MMP9 P14780 2/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ POLB P06746 3/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ ADAM17 P78536 1/20 0.41
▸ FKBP1A P62942 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RYR2 Q92736 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39

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
SCHEMBL6730246 0.89 HDAC1 (0.46) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL6729662 0.83 EPHX2 (0.43) MMP13MMP1
SCHEMBL6732607 0.79 CYP4F2 (0.44) POLB
SCHEMBL6732559 0.78 MMP13 (0.53) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL6731754 0.78 USP2 (0.47) MMP13MMP2MMP8ALDH1A1MMP9
SCHEMBL28749443 0.74 ALDH1A1 (0.47) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL6735054 0.70 MMP13 (0.52) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL6727303 0.70 MMP13 (0.62) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL6730211 0.68 HDAC3 (0.46) MMP13MMP2MMP8ALDH1A1LMNA
SCHEMBL14235509 0.68 MMP1 (0.41) MMP13MMP2MMP1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680338-B2 MATRIX METALLOPROTEINASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTICARCINOGENIC AGENTS; RHEUMATOID ARTHRITIS DARWIN DISCOVERY LTD. (GB) 2004-01-20 — — US claimed
US-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2003-12-25 — — US claimed
EP-1053233-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2000-11-22 — — EP claimed
WO-1999040080-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 1999-08-12 — — WO claimed
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives MONTANA JOHN GARY (GB) 2004-07-01 — — US disclosed
US-6680338-B2 MATRIX METALLOPROTEINASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTICARCINOGENIC AGENTS; RHEUMATOID ARTHRITIS DARWIN DISCOVERY LTD. (GB) 2004-01-20 — — US disclosed
US-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2003-12-25 — — US disclosed
EP-1053233-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-08-20 — — EP disclosed
EP-1053233-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2000-11-22 — — EP disclosed
WO-1999040080-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 1999-08-12 — — 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 (2 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-20030236416-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HCAR1, HCAR2, HCAR3 MMP13 694/4885MMP2 1221/4885MMP8 638/4885
US-20040127717-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, CBR1 MMP13 986/4885MMP2 1582/4885MMP8 863/4885

“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.

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