SCHEMBL17201529

SCHEMBL17201529

O=C(OC(=O)C(F)(F)F)c1ccc(-c2ccc(F)nn2)s1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.35
HDAC1 Q13547 12/20 0.34
HDAC4 P56524 9/20 0.34
HDAC3 O15379 4/20 0.34
ALDH1A1 P00352 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
HPGD P15428 1/20 0.31

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
SCHEMBL17201507 0.80 ALDH1A1 (0.35) HDAC6HDAC1HDAC4HDAC3ALDH1A1
Trifluoroacetic Acid SCHEMBL17201528 0.79 ALDH1A1 (0.46) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL17201690 0.71 CTSS (0.38) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL17201563 0.70 HDAC6 (0.32) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL17205302 0.69 HDAC6 (0.38) HDAC6HDAC1HDAC4ALDH1A1CTSS
SCHEMBL4685880 0.64 HDAC4 (0.35) HDAC6HDAC1HDAC4HDAC3HPGD
SCHEMBL2379564 0.62 CES2 (0.48) HDAC1ALDH1A1HPGD
SCHEMBL2492178 0.61 HDAC3 (0.48) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL10900382 0.61 CES2 (0.47) HDAC1ALDH1A1HPGD
SCHEMBL28093052 0.61 CES1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725459-B2 3-oxo-tetrahydro-furo[3,2-B]pyrrol-4(5H)-yl) derivatives I GRUNENTHAL GMBH (DE) 2017-08-08 US disclosed
EP-3140309-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2017-03-15 EP disclosed
WO-2015161928-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 WO disclosed
US-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I Grünenthal GmbH (DE) 2015-10-29 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-20150307507-A1 3-OXO-TETRAHYDRO-FURO[3,2-B]PYRROL-4(5H)-YL) DERIVATIVES I CTSK, OPRK1, CAT HDAC6 533/4885HDAC1 642/4885HDAC4 1433/4885

“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.