SCHEMBL6776830

SCHEMBL6776830

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C(=O)O)c3c2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 2/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.30
PTGER1 P34995 1/20 0.30
TEAD1 P28347 1/20 0.30
TEAD4 Q15561 1/20 0.30
TEAD2 Q15562 1/20 0.30
TEAD3 Q99594 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
Hydrochloric Acid SCHEMBL6767471 0.99 NOTUM (0.32) NOTUMALDH1A1POLBGAA
SCHEMBL6777449 0.92 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7454412 0.91 ATM (0.32)
SCHEMBL6767468 0.90
SCHEMBL7055823 0.90 POLB (0.32) ALDH1A1POLBGAA
SCHEMBL7461755 0.89 MAPT (0.34) NOTUMALDH1A1GAATP53
SCHEMBL7463813 0.88
SCHEMBL7466858 0.88
SCHEMBL6771135 0.87
SCHEMBL7455485 0.86 MAPT (0.32) POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP claimed
US-6706663-B2 CHEMICAL INTERMEDIATES WYETH 2004-03-16 US disclosed
EP-1274708-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-01-15 EP disclosed
EP-0908457-B1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents BASF AG (DE) 2002-11-13 EP disclosed
US-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds INTELLECTUAL PROPERTY DEPARTMENT BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 US disclosed
WO-2001079203-A1 HERBICIDAL 3-HETEROCYCLIC SUBSTITUTED BENZISOTHIAZOLE AND BENZISOXAZOLE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed
US-6156700-A 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents AMERICAN CYANMID COMPANY (US) 2000-12-05 US disclosed
EP-0908457-A1 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents American Cyanamid Company (US) 1999-04-14 EP disclosed
WO-1999014216-A1 SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES AMERICAN CYANAMID COMPANY (US) 1999-03-25 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-20020028748-A1 Herbicidal 3 -heterocyclic substituted benzisothiazole and benzisoxazole compounds CYP4X1, HAX1, DDT NOTUM 845/4885ALDH1A1 201/4885POLB 3939/4885

“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.