SCHEMBL5530171

SCHEMBL5530171

CCc1cccc(C(CC)(C(=O)O)C(=O)O)c1F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
KAT6A Q92794 1/20 0.39
RIPK1 Q13546 3/20 0.38
P2RX7 Q99572 7/20 0.34
POLQ O75417 1/20 0.34
CLCN2 P51788 1/20 0.33
PTGS2 P35354 1/20 0.33
CTSS P25774 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2964988 0.84 GABRA1 (0.45) GABRA1GABRB2RIPK1POLQCLCN2
SCHEMBL5576461 0.79 GABRA1 (0.41) GABRA1GABRB2CTSSMEN1KMT2A
SCHEMBL2477656 0.75 PDK2 (0.40) GABRA1GABRB2KAT6AP2RX7POLQ
SCHEMBL6558804 0.75 GABRA1 (0.39) GABRA1GABRB2RIPK1POLQCLCN2
SCHEMBL1772317 0.75 RIPK1 (0.43) RIPK1MEN1MAPTKMT2A
SCHEMBL5415312 0.74 GABRA1 (0.46) GABRA1GABRB2P2RX7POLQCTSS
SCHEMBL14039398 0.74 GABRA1 (0.46) GABRA1GABRB2KAT6ARIPK1P2RX7
SCHEMBL25019428 0.73 GABRA1 (0.45) GABRA1GABRB2KAT6ARIPK1P2RX7
SCHEMBL9903207 0.73 POLB (0.36) MEN1KMT2A
SCHEMBL22827470 0.72 GABRA1 (0.45) GABRA1GABRB2KAT6ARIPK1P2RX7

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-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES PEES KLAUS-JUERGEN 2007-09-06 US disclosed
US-7230104-B2 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2007-06-12 US disclosed
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines PEES KLAUS-JUERGEN 2005-12-22 US disclosed
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines PEES KLAUS-JUERGEN 2005-12-22 US disclosed
EP-1577312-A1 Triazolopyrimidine intermediate compounds for fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2005-09-21 EP disclosed
US-6943252-B2 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2005-09-13 US disclosed
EP-1289963-B1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES BASF AG (DE) 2005-08-31 EP disclosed
US-20040147744-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines PEES KLAUS-JUERGEN 2004-07-29 US disclosed
US-6632821-B2 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-10-14 US disclosed
US-20030088096-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines BASF AKTIENGESELLSCHAFT 2003-05-08 US 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 (5 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-20040147744-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, CBR1, NOX5 GABRA1 1269/4885GABRB2 2048/4885KAT6A 3496/4885
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, CBR1, CYP3A5 GABRA1 1135/4885GABRB2 1788/4885KAT6A 3817/4885
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES CBR3, NOX5, CBR1 GABRA1 1419/4885GABRB2 2117/4885KAT6A 3672/4885
US-20030088096-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR1, CBR3, ARSA GABRA1 656/4885GABRB2 1181/4885KAT6A 3157/4885
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, NOX5, CBR1 GABRA1 974/4885GABRB2 1498/4885KAT6A 3297/4885

“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.