SCHEMBL3382151

SCHEMBL3382151

O=Cc1c(C(F)(F)F)nn(-c2ccccc2)c1F

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
PTGS1 P23219 3/20 0.44
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL3381554 0.83 SMN1; SMN2 (0.43) PTGS2PTGS1LMNAADAMTS5
SCHEMBL17295145 0.83 PTGS2 (0.45) PTGS2PTGS1HTTLMNAADAMTS5
SCHEMBL17290868 0.83 PTGS2 (0.45) PTGS2PTGS1HTTLMNAADAMTS5
SCHEMBL3835167 0.78 HTT (0.64) HTTLMNA
SCHEMBL19087096 0.77 PTGS1 (0.42) PTGS2PTGS1HTTLMNA
SCHEMBL29248058 0.74 POLB (0.50) PTGS2PTGS1LMNA
SCHEMBL15332642 0.73 MAPT (0.40) PTGS2PTGS1
SCHEMBL3379848 0.72 CACNA1G (0.39) PTGS2PTGS1LMNA
SCHEMBL3384424 0.72 PTGS1 (0.39) PTGS2PTGS1LMNA
SCHEMBL15331338 0.72 TRPV1 (0.41) PTGS2LMNA

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 11 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
CN-100361982-C Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-01-16 CN 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
CN-1257895-C Isoxazoline derivatives and herbicides containing them as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-05-31 CN disclosed
US-20050256004-A1 Herbicide compositions KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2005-11-17 US disclosed
CN-1673221-A Isoxazoline derivative and herbicide comprising the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 CN 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
CN-1491217-A Isoxazoline derivatives and herbicides containing them as active ingredient ��Ԩ��ѧ��ҵ��ʽ���� 2004-04-21 CN 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 PTGS2 3715/4885PTGS1 3952/4885HTT 938/4885
US-20040110749-A1 Isoxazoline derivative and herbicide comprising the same as active ingredient CYP4X1, PRDX5, CYP3A7 PTGS2 2491/4885PTGS1 2498/4885HTT 2681/4885

“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.