SCHEMBL10076751

SCHEMBL10076751

CC(C)(C)CS(=O)(=O)N1CCC2(CCN(c3ccc(CC(F)(F)F)cc3)CO2)C(O)C1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 9/20 0.63
▸ ADAMTS4 O75173 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ NAMPT P43490 5/20 0.34
▸ ACACB O00763 1/20 0.32
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL350214 0.77 LIPE (1.00) LIPE
SCHEMBL747930 0.68 LIPE (0.44) LIPEL3MBTL1SMN1; SMN2
SCHEMBL350263 0.64 LIPE (1.00) LIPE
SCHEMBL746750 0.63 CYP3A4 (0.44) LIPESMN1; SMN2
SCHEMBL347868 0.62 LIPE (1.00) LIPE
SCHEMBL3752081 0.60 LIPE (0.58) LIPE
SCHEMBL3745559 0.60 LIPE (0.59) LIPEL3MBTL1
SCHEMBL364099 0.60 SLC6A2 (0.44) LIPESMN1; SMN2
SCHEMBL1146754 0.59 EPHX2 (0.53) LIPE
SCHEMBL17543099 0.58 NOTUM (0.43) LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 — — 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-20120015970-A1 NEW AZACYCLIC COMPOUNDS AZI2, CDKN1A, TOP2B LIPE 4875/4885ADAMTS4 3920/4885MMP13 3784/4885

“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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