SCHEMBL6729225

SCHEMBL6729225

CC(NC([O])=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
TAS1R2 Q8TE23 3/20 0.44
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
MAPT P10636 1/20 0.33
DPP4 P27487 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31

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
SCHEMBL16643953 0.78 CYP2C9 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL13035837 0.78 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL944394 0.78 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL16643945 0.78 CYP2C9 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL6729228 0.78 TAS1R3 (0.48) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL16643942 0.78 CYP2C9 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL13036625 0.78 CYP3A4 (0.45) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL8433780 0.76 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL20899727 0.76 CYP3A4 (0.31) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1
SCHEMBL20899955 0.76 CYP3A4 (0.31) CYP3A4CYP2C9CYP2C19TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
EP-1218350-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
US-20010031865-A1 Substituted 3-phenyluracils KLINTZ RALF (DE) 2001-10-18 US disclosed
US-6239074-B1 HERBICIDES, INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-05-29 US disclosed
WO-2001025216-A1 1-ARYL-1,3-DIHYDRO-IMIDAZOL-2-(THI)ONE DERIVATIVES, PRODUCTION OF SAID COMPOUND AND USE AS A DESSICATING/DEFOLIATING AGENT FOR PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-04-12 WO disclosed
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
WO-2001000600-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
EP-0604491-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF Aktiengesellschaft (DE) 1994-07-06 EP disclosed
WO-1993006090-A1 SUBSTITUTED 3-PHENYLURACILS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-04-01 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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 CYP3A4 250/4885CYP2C9 122/4885CYP2C19 415/4885
US-20010031865-A1 Substituted 3-phenyluracils CCR1, CCR6, CCR3 CYP3A4 1383/4885CYP2C9 1665/4885CYP2C19 2340/4885

“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.