SCHEMBL5735345

SCHEMBL5735345

CC(C(=O)O)c1ccc2oc(C(F)(F)C(F)(F)C(F)(F)F)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.53
ADRA1A P35348 1/20 0.53
ELANE P08246 2/20 0.43
AKR1C3 P42330 11/20 0.38
AKR1C2 P52895 11/20 0.38
PTGS2 P35354 4/20 0.37
PTGS1 P23219 4/20 0.37
CDC42 P60953 1/20 0.37
RAC1 P63000 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
ABCC4 O15439 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
SCHEMBL5734475 0.87 MAOA (0.40) MAOAADRA1AELANEPTGS2PTGS1
SCHEMBL3153668 0.77 MAOA (0.37) MAOAADRA1AELANETSHR
SCHEMBL5735947 0.75 GAA (0.55) ELANE
SCHEMBL4134433 0.75 MAOA (0.61) MAOAADRA1AAKR1C3AKR1C2PTGS2
SCHEMBL11653626 0.74 ELANE (0.48) ELANE
SCHEMBL6782970 0.73 MAOA (0.56) MAOAADRA1AAKR1C3AKR1C2PTGS2
SCHEMBL11637941 0.73 MAOA (0.50) MAOAADRA1AAKR1C3AKR1C2PTGS1
SCHEMBL11639504 0.72 MAOA (0.49) MAOAADRA1AAKR1C3AKR1C2PTGS2
SCHEMBL9706321 0.72 MAOA (0.79) MAOAADRA1APTGS2TSHR
Flunoxaprofen SCHEMBL25196 0.72 MAOA (0.78) MAOAADRA1ATSHR

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 7 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-6703347-B2 INSECTICIDES, FUNGICIDES, NEMATOCIDES, MOLLUSCICIDES, AND MITICIDES FOR PLANTS SYNGENTA LIMITED (GB) 2004-03-09 US 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 MAOA 2339/4885ADRA1A 370/4885ELANE 4305/4885

“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.