SCHEMBL5735947

SCHEMBL5735947

O=C(O)Cc1ccc2oc(C(F)(F)C(F)(F)C(F)(F)F)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
HPSE Q9Y251 14/20 0.51
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
ELANE P08246 2/20 0.45

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
SCHEMBL7976562 0.76 CYP26A1 (0.46) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL11653626 0.76 ELANE (0.48) GAAKDM4EALDH1A1ELANE
SCHEMBL5735345 0.75 MAOA (0.53) ELANE
SCHEMBL7238282 0.74 GAA (0.65) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL3807350 0.74 GAA (0.69) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL11638474 0.72 GAA (0.63) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL5733947 0.72 GAA (0.75) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL3102305 0.71 GAA (1.00) GAAHPSEKDM4EMEN1ALDH1A1
SCHEMBL507169 0.70 KDM4E (0.77) GAAHPSEKDM4EALDH1A1
SCHEMBL7243392 0.70 GAA (0.64) GAAHPSEKDM4EMEN1ALDH1A1

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
EP-1686128-A2 Isothiazole derivatives and their use as pesticides Syngenta Limited (GB) 2006-08-02 EP disclosed
EP-1265892-B1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LTD (GB) 2006-01-18 EP disclosed
US-20030207926-A1 Isothiazole derivatives and their use as pesticides SYNGENTA LIMITED (GB) 2003-11-06 US disclosed
EP-1265892-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES Syngenta Limited (GB) 2002-12-18 EP disclosed
WO-2001055144-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
WO-2001055139-A1 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 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-20030207926-A1 Isothiazole derivatives and their use as pesticides CBR1, CBR3, CYP1B1 GAA 4838/4885HPSE 4855/4885KDM4E 2745/4885

“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.