Sugi Predict

Sugi Predict / Compounds / SCHEMBL128278

SCHEMBL128278

SCHEMBL128278

[CH2]C(CC)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.40
▸ ALOX15 P16050 2/20 0.39
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ SOAT1 P35610 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ FAAH O00519 1/20 0.31

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
SCHEMBL2960092 0.84 MAPT (0.40) TSHRALOX15LMNAALDH1A1HSD17B10
SCHEMBL27756195 0.82 LMNA (0.39) TSHRALOX15LMNAHCAR2FAAH
SCHEMBL127780 0.77 — —
SCHEMBL10528732 0.76 LMNA (0.52) LMNAFAAH
SCHEMBL580557 0.75 TSHR (0.43) TSHRALOX15LMNAALDH1A1HSD17B10
SCHEMBL128668 0.75 — —
SCHEMBL17617132 0.75 TSHR (0.43) TSHRALOX15LMNAALDH1A1HSD17B10
SCHEMBL1866475 0.75 TSHR (0.43) TSHRALOX15LMNAALDH1A1HSD17B10
SCHEMBL6063173 0.75 TSHR (0.43) TSHRALOX15LMNAALDH1A1HSD17B10
SCHEMBL2541852 0.75 TSHR (0.43) TSHRALOX15LMNAALDH1A1HSD17B10

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045465-B1 3-heterocyclyl-substituted benzoyl derivatives BASF SE (DE) 2015-06-02 — — US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 — — US disclosed
EP-1613607-B1 BENZENESULPHONAMIDE DERIVATIVES AS HERBICIDES OR DESICCANT/DEFOLIANT COMPOUNDS BASF SE (DE) 2013-01-09 — — EP disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 — — EP disclosed
US-7741485-B2 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds BASF AKTIENGESELLSCHAFT (DE) 2010-06-22 — — US disclosed
US-7608564-B2 3-heterocyclyl-substituted benzoyl derivatives BASF AKTIENGESELLSCHAFT (DE) 2009-10-27 — — US disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 — — US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 — — EP disclosed
US-20080039327-A1 Herbicide; in crops such as wheat, rice, maize, soybeans and cotton they act against broad-leaved weeds and grass weeds without damaging the crop plants; compounds are based on 3-(5,5-disubstituted 2-isoxazolin-3-yl)benzoic acid, esters, thioesters and pyrazolyl ketones thereof DEYN WOLFGANG V 2008-02-14 — — US disclosed
US-7232792-B2 3-heterocyclyl-substituted benzoyl derivatives BASF AKTIENGESELLSCHAFT (DE) 2007-06-19 — — US disclosed
CN-1196722-A Substitued 2-phenylpyridines as herbicides BASF AG (DE) 1998-10-21 — — CN disclosed
EP-0862558-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 — — EP disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 — — WO disclosed
WO-1998031681-A1 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 — — WO disclosed
EP-0851858-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-08 — — EP disclosed
WO-1998027090-A2 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-06-25 — — WO disclosed
WO-1998020000-A2 SUBSTITUTED 3-BENZYLPYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-05-14 — — WO disclosed
WO-1998012182-A1 1-SULFONYL-3-PHENYLPYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING OR DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 — — WO disclosed
WO-1997015559-A1 SUBSTITUTED 4,5-DI(TRIFLUOROMETHYL)PYRAZOLES AND THEIR USE AS HERBICIDES AND FOR DESICCATING/DEFOLIATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 1997-05-01 — — WO disclosed
WO-1997011059-A1 SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 — — 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 (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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 TSHR 1420/4885ALOX15 81/4885LMNA 1679/4885
US-20080039327-A1 Herbicide; in crops such as wheat, rice, maize, soybeans and cotton they act against broad-leaved weeds and grass weeds without damaging the crop plants; compounds are based on 3-(5,5-disubstituted 2-isoxazolin-3-yl)benzoic acid, esters, thioesters and pyrazolyl ketones thereof CBR3, CBR1, GLRX3 TSHR 138/4885ALOX15 685/4885LMNA 2941/4885

“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.