SCHEMBL17201690

SCHEMBL17201690

CS(=O)(=O)c1cnnc(-c2ccc(C(=O)OC(=O)C(F)(F)F)s2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
HDAC6 Q9UBN7 11/20 0.35
HDAC1 Q13547 9/20 0.35
HDAC4 P56524 8/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
ESR1 P03372 1/20 0.33
ESRRG P62508 1/20 0.33
HDAC3 O15379 5/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL17201689 0.83 CTSS (0.39) CTSSCTSKHDAC6HDAC1HDAC4
SCHEMBL17201502 0.83 CTSS (0.39) CTSSCTSKHDAC6HDAC1HDAC4
SCHEMBL17201563 0.79 HDAC6 (0.32) HDAC6HDAC1HDAC4HDAC3HDAC7
SCHEMBL17201529 0.71 HDAC6 (0.35) CTSSCTSKHDAC6HDAC1HDAC4
SCHEMBL17201588 0.65 ALDH1A1 (0.36) HDAC1ALDH1A1KDM4ERAB9A
SCHEMBL17205302 0.64 HDAC6 (0.38) CTSSCTSKHDAC6HDAC1HDAC4
SCHEMBL17201516 0.63 ERN1 (0.46) CTSSCTSKHDAC6HDAC1HDAC4
SCHEMBL17201521 0.63 ALDH1A1 (0.34) HSD17B1HSD17B2ALDH1A1
SCHEMBL17201604 0.62 HDAC3 (0.44) HDAC6HDAC1HDAC4HDAC3ALDH1A1
SCHEMBL17201629 0.61 ALDH1A1 (0.33) ALDH1A1

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 CTSS 33/4885CTSK 1/4885HDAC6 533/4885

“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.