SCHEMBL601209

SCHEMBL601209

CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCC[C@@H](Oc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.39
▸ FFAR4 Q5NUL3 9/20 0.38
▸ CACNA1B Q00975 3/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL10239017 1.00 BTK (0.42) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL25741446 0.80 BTK (0.58) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL10188583 0.77 PARP10 (0.44) FFAR4LOXL2NPC1RAB9A
SCHEMBL21389843 0.76 BTK (0.53) BTKKMT2AGAAMEN1RAB9A
SCHEMBL10188580 0.75 FFAR4 (0.52) FFAR4
SCHEMBL15026735 0.74 BTK (0.49) BTKKMT2AL3MBTL1GAAMEN1
SCHEMBL25518309 0.74 BTK (0.60) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL21588244 0.73 GAA (0.55) BTKKMT2AGAAMEN1RAB9A
SCHEMBL25136336 0.72 KDM1A (0.56) BTKKMT2AL3MBTL1KDM1AMAOB
SCHEMBL30182719 0.72 KDM1A (0.56) BTKKMT2AL3MBTL1KDM1AMAOB

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-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 — — US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 — — 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-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 BTK 366/4885KMT2A 4146/4885L3MBTL1 4641/4885

“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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