SCHEMBL5530169

SCHEMBL5530169

CCOC(=O)C(CC)(C(=O)O)c1ccccc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.44
POLB P06746 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 4/20 0.40
RECQL P46063 1/20 0.40
MMP8 P22894 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
LMNA P02545 2/20 0.39
KCNN4 O15554 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.38
NLRP3 Q96P20 1/20 0.37

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
SCHEMBL5576457 0.81 MAPT (0.44) PIN1POLBNPSR1ALDH1A1RECQL
SCHEMBL2822944 0.80 PIN1 (0.50) PIN1POLBNPSR1ALDH1A1RECQL
SCHEMBL8576298 0.79 CES1 (0.42) KCNN4CYP1A2CYP2C19
SCHEMBL30603802 0.78 PIN1 (0.45) PIN1POLBNPSR1ALDH1A1RECQL
SCHEMBL1477878 0.78 POLB (0.46) PIN1POLBNPSR1ALDH1A1RECQL
SCHEMBL18113457 0.78 PIN1 (0.45) PIN1POLBNPSR1ALDH1A1RECQL
SCHEMBL6904757 0.77 POLB (0.44) PIN1POLBNPSR1ALDH1A1RECQL
SCHEMBL31355016 0.77 PIN1 (0.47) PIN1POLBNPSR1ALDH1A1RECQL
SCHEMBL7682227 0.77 KCNN4 (0.40) PIN1POLBNPSR1ALDH1A1RECQL
SCHEMBL8979073 0.76 PIN1 (0.46) PIN1POLBNPSR1ALDH1A1RECQL

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 PIN1 4367/4885POLB 3256/4885NPSR1 918/4885
US-20050282828-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, CBR1, CYP3A5 PIN1 4244/4885POLB 3820/4885NPSR1 1110/4885
US-20070208037-A1 FUNGICIDAL 5-PHENYL SUBSTITUTED 2-(CYANOAMINO) PYRIMIDINES CBR3, NOX5, CBR1 PIN1 4137/4885POLB 3552/4885NPSR1 440/4885
US-20030088096-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR1, CBR3, ARSA PIN1 4041/4885POLB 3614/4885NPSR1 54/4885
US-20050282847-A1 Fungicidal 5-phenyl substituted 2-(cyanoamino) pyrimidines CBR3, NOX5, CBR1 PIN1 4128/4885POLB 3658/4885NPSR1 327/4885

“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.