SCHEMBL10188580

SCHEMBL10188580

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 15/20 0.52
▸ PARP10 Q53GL7 1/20 0.46
▸ SLC6A4 P31645 2/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ AKR1C1 Q04828 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ FURIN P09958 1/20 0.44

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
SCHEMBL26857799 0.90 AKR1C3 (0.51) FFAR4SLC6A4AKR1C3AKR1C1SLC6A2
SCHEMBL22256603 0.86 FFAR4 (0.50) FFAR4PARP10FURIN
SCHEMBL22252621 0.86 FFAR4 (0.50) FFAR4PARP10FURIN
SCHEMBL22578255 0.86 PARP10 (0.46) FFAR4PARP10FURIN
SCHEMBL22463663 0.86 PARP10 (0.46) FFAR4PARP10FURIN
SCHEMBL22252517 0.86 FFAR4 (0.50) FFAR4PARP10FURIN
SCHEMBL22578254 0.86 PARP10 (0.46) FFAR4PARP10FURIN
SCHEMBL795203 0.84 SLC6A4 (0.52) FFAR4SLC6A4AKR1C3AKR1C1SLC6A2
SCHEMBL6932018 0.84 FFAR4 (0.49) FFAR4PARP10SLC6A4SLC6A2SLC6A3
SCHEMBL10188583 0.83 PARP10 (0.44) FFAR4PARP10FURIN

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 5 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-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
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 — — US disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 — — 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 (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 FFAR4 4424/4885PARP10 3840/4885SLC6A4 1554/4885

“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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