SCHEMBL6605540

SCHEMBL6605540

CC(C)OC(=O)Cc1c(C#Cc2ccc(C(F)(F)F)cc2)cnn1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
ACACB O00763 4/20 0.37
EGLN1 Q9GZT9 2/20 0.35
PTGES O14684 2/20 0.35
AKR1C3 P42330 1/20 0.35
FLT1 P17948 2/20 0.34
KDR P35968 2/20 0.34
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
FLT3 P36888 1/20 0.32
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 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
SCHEMBL6604766 0.84 PTGDR2 (0.48) PTGDR2ACACBEGLN1PTGESFLT1
SCHEMBL14938139 0.70 CA12 (0.48) TSHR
SCHEMBL6603401 0.69 XPO1 (0.37) PTGDR2TSHRPOLB
SCHEMBL14937812 0.69 CA12 (0.43) TSHR
SCHEMBL14937930 0.69 MEN1 (0.41)
SCHEMBL14938295 0.67 CA1 (0.44) FLT1KDRPTPN6
SCHEMBL14938278 0.67 KIF11 (0.38)
SCHEMBL14938308 0.66 CA2 (0.38)
SCHEMBL14476853 0.66 TSHR (0.57) TSHRPTPN1
SCHEMBL14937804 0.65 PDE2A (0.33) PTGDR2EGLN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219173-B1 INSECTICIDES AND ACARICIDES AGRO KANESHO CO LTD (JP) 2004-06-16 EP disclosed
US-20030191171-A1 Pyrazolyl compound AGRO-KANESHO CO., LTD. (JP) 2003-10-09 US disclosed
US-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same AGRO-KANESHO CO., LTD. (JP) 2002-10-24 US disclosed
EP-1219173-A1 INSECTICIDAL AND ACARICIDAL AGENTS Agro-Kanesho Co., Ltd. (JP) 2002-07-03 EP 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-20020156115-A1 Insecticidal and acaricidal composition, and methods of using the same GSTO1, CBR3, CBR1 PTGDR2 1223/4885ACACB 368/4885EGLN1 191/4885
US-20030191171-A1 Pyrazolyl compound GSTO1, CBR3, GSTM1 PTGDR2 432/4885ACACB 1074/4885EGLN1 153/4885

“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.