SCHEMBL7077804

SCHEMBL7077804

CC(C)C(CSCCCOC1CCC(c2ccccc2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 12/20 0.40
▸ GPR119 Q8TDV5 2/20 0.38
▸ SLC18A3 Q16572 2/20 0.34
▸ SSTR2 P30874 1/20 0.33

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
SCHEMBL7074958 0.88 HCRTR2 (0.38) HCRTR2SLC18A3
SCHEMBL7080645 0.79 TDP1 (0.41) —
SCHEMBL7073611 0.72 — —
SCHEMBL7078290 0.71 HCRTR2 (0.41) HCRTR2
SCHEMBL7134517 0.70 PPARA (0.40) —
SCHEMBL7073655 0.69 CHRNB2 (0.42) —
SCHEMBL7080651 0.67 HCRTR2 (0.41) HCRTR2
SCHEMBL11619194 0.67 DRD2 (0.46) HCRTR2
SCHEMBL22023304 0.65 PPARA (0.52) HCRTR2
SCHEMBL8558032 0.65 DRD2 (0.45) HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity OWEN DAVID ALAN (GB) 2003-11-06 — — US disclosed
US-6566384-B1 For therapy of cancer, inflammation and inflammatory diseases, tissue degeneration, periodontal disease, ophthalmological disease, dermatological disorders, fever, cardiovascular effects, haemorrhage, coagulation and acute phase response DARWIN DISCOVERY LTD. (GB) 2003-05-20 — — US 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-20030207889-A1 Hydroxamic and carboxylic acid derivatives having MMP and TNF inhibitory activity MMP13, MMP2, MMP9 HCRTR2 2176/4885GPR119 2515/4885SLC18A3 4030/4885

“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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