SCHEMBL6603401

SCHEMBL6603401

Cc1nn(C)c(CC(=O)OC(C)C)c1C#Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 4/20 0.37
NR3C1 P04150 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
POLB P06746 1/20 0.33
IKBKE Q14164 1/20 0.33
SHMT1 P34896 1/20 0.32
SLC34A1 Q06495 1/20 0.32
BRD4 O60885 1/20 0.31
MGLL Q99685 1/20 0.31
CETP P11597 2/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
TSHR P16473 1/20 0.30
GRM5 P41594 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL7510079 0.85 PTGDR2 (0.43) PTGDR2POLBIKBKEGPBAR1
SCHEMBL6605724 0.78 MEN1 (0.39) IKBKE
SCHEMBL6604749 0.76 PTGDR2 (0.37) PTGDR2GRM5
SCHEMBL6608035 0.74 PTGDR2 (0.39) PTGDR2
SCHEMBL6605540 0.69 PTGDR2 (0.37) PTGDR2POLBTSHR
SCHEMBL6603005 0.68 TSHR (0.38) SLC34A1TSHR
SCHEMBL6604835 0.62 MEN1 (0.37) GPBAR1GRM5
SCHEMBL6606932 0.61 TSHR (0.42) POLBSLC34A1TSHR
SCHEMBL7640052 0.59 TACR1 (0.46) XPO1
SCHEMBL9430791 0.58 APP (0.36) GRM5

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 XPO1 3758/4885NR3C1 658/4885PTGDR2 1223/4885
US-20030191171-A1 Pyrazolyl compound GSTO1, CBR3, GSTM1 XPO1 3842/4885NR3C1 405/4885PTGDR2 432/4885

“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.