SCHEMBL3382253

SCHEMBL3382253

CC1(C)CC(SCc2c(C(F)(F)F)nn(-c3ccccc3)c2Cl)=NO1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.35
BRAF P15056 1/20 0.34
MPO P05164 2/20 0.34
SMO Q99835 1/20 0.34
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CCR1 P32246 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
SCHEMBL3380850 0.89 ADAMTS5 (0.34) ADAMTS5
SCHEMBL4026385 0.88 ADAMTS5 (0.34) ADAMTS5PTGS2
SCHEMBL3381612 0.86 ADAMTS5 (0.33) ADAMTS5
SCHEMBL3379923 0.86 ADAMTS5 (0.36) ADAMTS5
SCHEMBL3741118 0.82 CYP2C9 (0.33) MPO
SCHEMBL3381498 0.80 PTGS2 (0.35) ADAMTS5BRAFSMOPTGS1PTGS2
SCHEMBL3382189 0.80 MEN1 (0.30)
SCHEMBL3383844 0.75 CYP1A2 (0.34) ADAMTS5
SCHEMBL3380689 0.74 MPO (0.43) MPO
SCHEMBL3384347 0.74

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-1364946-B1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2010-11-24 EP disclosed
US-7833939-B2 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-16 US disclosed
EP-2186410-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-05-19 EP disclosed
US-7238689-B2 Isoxazoline derivative and herbicide comprising the same as active ingredient IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-03 US disclosed
US-20050256004-A1 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-17 US disclosed
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-06-10 US disclosed
EP-1364946-A1 ISOXAZOLINE DERIVATIVE AND HERBICIDE COMPRISING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-11-26 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-20050256004-A1 Herbicide compositions DDT, CYP4X1, GLRX3 ADAMTS5 4264/4885BRAF 1691/4885MPO 2230/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 ADAMTS5 4327/4885BRAF 3116/4885MPO 983/4885

“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.