SCHEMBL15580221

SCHEMBL15580221

CC(C)(C)OC(=O)NCc1nc(-c2nc(C(=O)NCCCCC(=O)NO)cs2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 20/20 1.00
HDAC1 Q13547 20/20 1.00
HDAC6 Q9UBN7 17/20 1.00
HDAC2 Q92769 9/20 0.52
HDAC8 Q9BY41 9/20 0.52
HDAC10 Q969S8 8/20 0.52
HDAC4 P56524 4/20 0.52
HDAC7 Q8WUI4 4/20 0.52
HDAC11 Q96DB2 4/20 0.52
HDAC9 Q9UKV0 4/20 0.52
HDAC5 Q9UQL6 4/20 0.52

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
SCHEMBL15580303 0.99 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL15580274 0.99 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL20691496 0.80 HDAC3 (0.66) HDAC3HDAC1HDAC6
SCHEMBL24780896 0.79 HDAC3 (0.66) HDAC3HDAC1HDAC6
SCHEMBL15580214 0.79 HDAC3 (1.00) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL24780895 0.79 HDAC3 (0.65) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL23164198 0.79 HDAC1 (0.65) HDAC3HDAC1HDAC6
SCHEMBL24781178 0.78 HDAC3 (0.64) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL28944487 0.76 HDAC3 (0.62) HDAC3HDAC1HDAC6
SCHEMBL19114635 0.76 HDAC3 (0.60) HDAC3HDAC1HDAC6

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
EP-2708534-B1 THIAZOLE COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI THEORION PHARMACEUTICAL CO LTD (CN) 2017-07-12 EP disclosed
US-9216962-B2 Thiazole compounds, methods for preparation and use thereof SHANGHAI PUYI CHEMICAL CO., LTD. (CN) 2015-12-22 US disclosed
US-20140148600-A1 THIAZOLE COMPOUNDS, METHODS FOR PREPARATION AND USE THEREOF SHANGHAI THEORION PHARMACEUTICAL CO., LTD. (CN) 2014-05-29 US disclosed
EP-2708534-A1 THIAZOLE COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Puyi Chemical Co., Ltd. (CN) 2014-03-19 EP 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-20140148600-A1 THIAZOLE COMPOUNDS, METHODS FOR PREPARATION AND USE THEREOF HDAC5, HDAC7, HDAC1 HDAC3 9/4885HDAC1 3/4885HDAC6 7/4885

“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.