SCHEMBL4035401

SCHEMBL4035401

COCCOc1ccc2oc(C(=O)NCC(C)Oc3ccc(C(=O)NO)cc3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.46
TAS1R1 Q7RTX1 10/20 0.46
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL444838 1.00 TAS1R3 (0.46) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL4255394 0.92 TAS1R3 (0.44) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL444970 0.87 ADAM17 (0.45) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL444969 0.87 ADAM17 (0.45) HDAC3HDAC1HDAC2HDAC6HDAC8
SCHEMBL444823 0.85 HDAC3 (0.51) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL17254439 0.85 HDAC3 (0.51) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL447834 0.85 HPGD (0.56) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL444395 0.84 SMN1; SMN2 (0.56) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL444394 0.84 SMN1; SMN2 (0.56) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL447541 0.83 HDAC1 (0.60) TAS1R3TAS1R1HDAC3HDAC1HDAC2

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
EP-1611088-B1 HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS INC (US) 2009-06-17 EP claimed
US-9408816-B2 Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS LLC (US) 2016-08-09 US disclosed
EP-2099442-B1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS INC (US) 2014-11-19 EP disclosed
EP-2626067-A1 Method of using histone deacetylase inhibitors and monitoring biomarkers in combination therapy PHARMACYCLICS, INC. (US) 2013-08-14 EP disclosed
US-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY PHARMACYCLICS, INC. (US) 2008-06-26 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-20080153877-A1 METHOD OF USING HISTONE DEACETYLASE INHIBITORS AND MONITORING BIOMARKERS IN COMBINATION THERAPY RAD51, HDAC1, HDAC2 TAS1R3 3904/4885TAS1R1 3886/4885HDAC3 17/4885

“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.