SCHEMBL15580229

SCHEMBL15580229

CCCCCCCC(=O)SCC/C=C/COC(=O)[C@@H](NC(=O)c1csc(-c2cscn2)n1)C(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 1.00
HDAC3 O15379 12/20 1.00
HDAC6 Q9UBN7 8/20 0.70
HDAC4 P56524 3/20 0.36
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
HDAC8 Q9BY41 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
PPARG P37231 1/20 0.30

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
SCHEMBL15580289 0.93 HDAC1 (0.86) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL15580182 0.89 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL19114024 0.83 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC8
SCHEMBL15580186 0.83 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC8
SCHEMBL15745568 0.78 HDAC1 (0.75) HDAC1HDAC3HDAC6HDAC8
SCHEMBL19114453 0.72 HDAC1 (0.56) HDAC1HDAC3HDAC6HDAC8
SCHEMBL15580257 0.70 HDAC1 (1.00) HDAC1HDAC3HDAC6HDAC8
SCHEMBL15580223 0.68 HDAC3 (1.00) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL15580193 0.67 HDAC1 (0.89) HDAC1HDAC3HDAC6HDAC4HDAC2
SCHEMBL15580192 0.67 HDAC1 (0.79) HDAC1HDAC3HDAC6HDAC8

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
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-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
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 HDAC1 3/4885HDAC3 9/4885HDAC6 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.