SCHEMBL710134

SCHEMBL710134

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TSHR P16473 2/20 0.39
ACLY P53396 1/20 0.39
KDR P35968 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KCNQ3 O43525 1/20 0.38

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
SCHEMBL711773 0.90 HDAC6 (0.42) ALDH1A1HDAC1HDAC8HDAC6TSHR
SCHEMBL712003 0.89 HPGD (0.47) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL711275 0.88 HDAC6 (0.41) ALDH1A1HPGDSMN1; SMN2HDAC1HDAC8
SCHEMBL711999 0.84 HDAC1 (0.46) ALDH1A1HPGDCYP1A2SMN1; SMN2HDAC1
SCHEMBL709376 0.81 SCN9A (0.43) ALDH1A1HPGDCYP2C19SMN1; SMN2LMNA
SCHEMBL12011295 0.78 HDAC6 (0.39) ALDH1A1HDAC1HDAC8HDAC6TSHR
SCHEMBL714409 0.76 HDAC6 (0.43) SMN1; SMN2HDAC1HDAC8HDAC6ACLY
SCHEMBL8697590 0.74 SMN1; SMN2 (0.48) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL27871304 0.72 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2HDAC1HDAC8
SCHEMBL8697588 0.72 CYP1A2 (0.45) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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 9 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-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 ALDH1A1 233/4885HPGD 505/4885CYP1A2 857/4885
US-20110152522-A1 METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO) URACILS AND DITHIOURACILS TPMT, TYMP, TYMS ALDH1A1 233/4885HPGD 505/4885CYP1A2 857/4885

“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.