SCHEMBL711773

SCHEMBL711773

COC(=O)Nc1cc(C(=O)NS(=O)(=O)N(C)C(C)C)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC1 Q13547 3/20 0.42
ACLY P53396 3/20 0.40
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
PKM P14618 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HDAC2 Q92769 1/20 0.36
ERBB2 P04626 1/20 0.36
SCN9A Q15858 1/20 0.36
NLRP3 Q96P20 1/20 0.36
HDAC3 O15379 1/20 0.35

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
SCHEMBL711275 0.91 HDAC6 (0.41) HDAC6HDAC8HDAC1ACLYMAPK14
SCHEMBL710134 0.90 ALDH1A1 (0.47) HDAC6HDAC8HDAC1ACLYALDH1A1
SCHEMBL711999 0.87 HDAC1 (0.46) HDAC6HDAC8HDAC1ACLYALDH1A1
SCHEMBL712003 0.86 HPGD (0.47) ALDH1A1LMNATSHRERBB2
SCHEMBL12011295 0.81 HDAC6 (0.39) HDAC6HDAC8HDAC1ACLYMAPK14
SCHEMBL712255 0.79 SCN9A (0.45) SCN9A
SCHEMBL714409 0.79 HDAC6 (0.43) HDAC6HDAC8HDAC1ACLYLMNA
SCHEMBL27871304 0.75 ALDH1A1 (0.49) HDAC6HDAC8HDAC1ALDH1A1LMNA
SCHEMBL3080870 0.75 CLPP (0.50) ALDH1A1LMNA
SCHEMBL709376 0.70 SCN9A (0.43) ALDH1A1LMNASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252925-B2 Method for the production of 3-phenyl(thio)uracils and dithiouracils BASF AKTIENGESELLSCHAFT (DE) 2012-08-28 US disclosed
US-8252925-B2 Method for the production of 3-phenyl(thio)uracils and dithiouracils BASF AKTIENGESELLSCHAFT (DE) 2012-08-28 US disclosed
US-8124818-B2 Method for the production of 3-phenyl(thio) uracils and dithiouracils BASF AKTIENGESELLSCHAFT (DE) 2012-02-28 US disclosed
US-8124818-B2 Method for the production of 3-phenyl(thio) uracils and dithiouracils BASF AKTIENGESELLSCHAFT (DE) 2012-02-28 US disclosed
US-20110152522-A1 METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO) URACILS AND DITHIOURACILS BASF AKTIENGESSELSCHAFT (DE) 2011-06-23 US disclosed
US-20110152522-A1 METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO) URACILS AND DITHIOURACILS BASF AKTIENGESSELSCHAFT (DE) 2011-06-23 US disclosed
US-20080033174-A1 Method for the Production of 3-Phenyl (Thio) Uracils and Dithiouracils BASF AKTIENGESELLSCHAFT (DE) 2008-02-07 US disclosed
US-20080033174-A1 Method for the Production of 3-Phenyl (Thio) Uracils and Dithiouracils BASF AKTIENGESELLSCHAFT (DE) 2008-02-07 US disclosed
EP-1773787-A1 METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO)URACILS AND DITHIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2007-04-18 EP disclosed
WO-2006010474-A1 METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO)URACILS AND DITHIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2006-02-02 WO 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 (2 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-20080033174-A1 Method for the Production of 3-Phenyl (Thio) Uracils and Dithiouracils TPMT, TYMP, TYMS HDAC6 2437/4885HDAC8 4101/4885HDAC1 2627/4885
US-20110152522-A1 METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO) URACILS AND DITHIOURACILS TPMT, TYMP, TYMS HDAC6 2437/4885HDAC8 4101/4885HDAC1 2627/4885

“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.