SCHEMBL6296496

SCHEMBL6296496

COC(=O)c1ccc(C(F)(F)F)cc1Cn1nc(SC)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.44
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
LIPE Q05469 1/20 0.35
PPARG P37231 2/20 0.35
DHODH Q02127 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL6309149 0.82 PTGDR2 (0.36) PPARGPTGDR2
SCHEMBL8819121 0.81 CFTR (0.46) CFTRKDM4EMRGPRX4BCHEACHE
SCHEMBL6707271 0.80 CFTR (0.45) CFTRKDM4ETP53MRGPRX4PTGDR2
SCHEMBL6293326 0.78 DHODH (0.39) PPARGDHODHPTGDR2
SCHEMBL5408510 0.75 KDM4E (0.39) KDM4EMRGPRX4PPARDPPARAPPARG
SCHEMBL5833100 0.73 CFTR (0.58) CFTRKDM4EMRGPRX4PPARDPPARA
SCHEMBL25085889 0.73 CFTR (0.65) CFTRKDM4EMRGPRX4PPARDPPARA
SCHEMBL5419988 0.72 PPARD (0.41) KDM4EMRGPRX4PPARDPPARAPPARG
SCHEMBL5841660 0.70 CFTR (0.61) CFTRKDM4EMRGPRX4LMNARECQL
SCHEMBL5833870 0.70 CFTR (0.61) CFTRKDM4EMRGPRX4LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050079979-A1 Substituted benzoylisoxazoles and the use thereof as herbicides MULLER KLAUS-HELMUT (DE) 2005-04-14 US disclosed
US-6838415-B1 Substituted benzoylisoxazoles and the use thereof as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2005-01-04 US disclosed
EP-1178987-B1 SUBSTITUTED BENZOYLISOXAZOLES AND THE USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2003-08-13 EP disclosed
CN-1349532-A Substituted benzoyl isoxazoles and their use as herbicides BAYER AG (DE) 2002-05-15 CN disclosed
EP-1178987-A1 SUBSTITUTED BENZOYLISOXAZOLES AND THE USE THEREOF AS HERBICIDES Bayer Aktiengesellschaft (DE) 2002-02-13 EP disclosed
WO-2000068227-A1 SUBSTITUTED BENZOYLISOXAZOLES AND THE USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-11-16 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 (1 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-20050079979-A1 Substituted benzoylisoxazoles and the use thereof as herbicides CYP4X1, DDT, GLRX3 CFTR 1795/4885KDM4E 2045/4885TP53 2881/4885

“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.