SCHEMBL977056

SCHEMBL977056

O=C(O)c1ccc2cc(-c3ccccc3)oc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.73
TNKS O95271 1/20 0.54
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
SHBG P04278 1/20 0.49
FFAR1 O14842 1/20 0.48
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TTR P02766 1/20 0.46
MAOB P27338 1/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL18838164 0.87 HDAC6 (0.58) HDAC6TNKSHDAC3HDAC1HDAC2
SCHEMBL977340 0.87 FFAR1 (0.58) HDAC6TNKSFFAR1TTRMAOB
SCHEMBL5210930 0.86 HDAC6 (0.56) HDAC6TNKSHDAC3HDAC1HDAC2
SCHEMBL19029316 0.84 HDAC6 (1.00) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL980203 0.83 TNKS (0.66) HDAC6TNKSHDAC2FFAR1MAOB
SCHEMBL978655 0.83 HDAC6 (0.68) HDAC6TNKSHDAC3HDAC1HDAC2
SCHEMBL8456663 0.82 HDAC6 (0.52) HDAC6TNKSHDAC3HDAC1HDAC2
SCHEMBL28743092 0.82 HDAC6 (0.53) HDAC6TNKSHDAC3HDAC1HDAC2
SCHEMBL18867381 0.82 HDAC6 (0.52) HDAC6TNKSSHBGMAOBKDM4E
SCHEMBL11826808 0.81 TNKS (0.58) HDAC6TNKSHDAC2SHBGFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 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 (3 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 HDAC6 3409/4885TNKS 1951/4885HDAC3 1983/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 HDAC6 3831/4885TNKS 1936/4885HDAC3 2511/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 HDAC6 3831/4885TNKS 1936/4885HDAC3 2511/4885

“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.