SCHEMBL6729529

SCHEMBL6729529

CC(C)C(C)(C)NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.52
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL13218356 0.79 PIK3CD (0.48) PIK3CDPOLB
SCHEMBL6729525 0.78 PIK3CD (0.52) PIK3CDPOLB
SCHEMBL8435450 0.78 PIK3CD (0.52) PIK3CDPOLB
SCHEMBL24567743 0.76 PIK3CD (0.56) PIK3CDPOLB
SCHEMBL2339224 0.76 ALDH1A1 (0.32) PIK3CDCYP2C19ALDH1A1TSHR
SCHEMBL2690051 0.76 PIK3CD (0.50) PIK3CDPOLBALDH1A1TSHR
SCHEMBL25443684 0.76 PIK3CD (0.50) PIK3CDCYP2C19POLBTP53ALDH1A1
SCHEMBL8435445 0.76 PIK3CD (0.50) PIK3CDPOLB
SCHEMBL21112344 0.76 PIK3CD (0.31) PIK3CDALDH1A1TSHR
SCHEMBL14355665 0.75 PIK3CD (0.45) PIK3CDPOLBTP53

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 18 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
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 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
EP-1127053-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP 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
WO-2001000600-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2000026194-A1 NOVEL 1-ARYL-4-THIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 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
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 PIK3CD 4537/4885CYP2D6 354/4885CYP2C19 415/4885
US-20010031865-A1 Substituted 3-phenyluracils CCR1, CCR6, CCR3 PIK3CD 3989/4885CYP2D6 513/4885CYP2C19 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.