SCHEMBL6722398

SCHEMBL6722398

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 1/20 0.34
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
TSHR P16473 2/20 0.31
USP2 O75604 1/20 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
SCHEMBL8437778 0.80 ALDH1A1 (0.40) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL6722400 0.80 TAS1R3 (0.42) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL11915410 0.80 ALDH1A1 (0.40) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL25098771 0.78 TAS1R3 (0.38) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL24444347 0.78 TAS1R3 (0.38) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL23479934 0.78 TAS1R3 (0.38) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL5209609 0.78 TAS1R3 (0.38) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL21130615 0.76 ALDH1A1 (0.52) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL14864770 0.76 CA1 (0.44) TAS1R3TAS1R1MMP1MMP2MMP3
SCHEMBL12467033 0.76 CA1 (0.44) TAS1R3TAS1R1MMP1MMP2MMP3

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 11 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-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
CN-1364161-A N-substituted perhydrodiazines BASF AG (DE) 2002-08-14 CN disclosed
CN-1362950-A Substituted ureas BASF AG (DE) 2002-08-07 CN 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
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN 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 TAS1R3 1487/4885TAS1R1 1025/4885MMP1 3653/4885
US-20010031865-A1 Substituted 3-phenyluracils CCR1, CCR6, CCR3 TAS1R3 724/4885TAS1R1 979/4885MMP1 4281/4885

“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.