SCHEMBL4267422

SCHEMBL4267422

COC(=O)c1ccc(S(C)(=O)=O)c(C2=NOC(C)(OC)C2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MITF O75030 1/20 0.32
MAPT P10636 1/20 0.32
VCAM1 P19320 1/20 0.31
PDK2 Q15119 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
NPY5R Q15761 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
SCHEMBL4028672 0.90 LMNA (0.30)
SCHEMBL4269505 0.78 SMN1; SMN2 (0.33) KDM4EMAPTVCAM1PDK2SMN1; SMN2
SCHEMBL4267446 0.76 HTT (0.34) MAPTVCAM1SMN1; SMN2
SCHEMBL7495310 0.72 PPARG (0.41)
SCHEMBL4274890 0.71 VCAM1 (0.33) KDM4EMAPTVCAM1SMN1; SMN2HSD17B10
SCHEMBL27561142 0.71 RAB9A (0.36) KDM4EMAPTVCAM1PDK2SMN1; SMN2
SCHEMBL8175098 0.71 GAA (0.42) KDM4EMAPTVCAM1PDK2SMN1; SMN2
SCHEMBL7946301 0.70 ACLY (0.44) KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL4273633 0.70 VCAM1 (0.32) KDM4EMAPTVCAM1PDK2SMN1; SMN2
SCHEMBL8164153 0.70 EDNRA (0.41) KDM4EVCAM1

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 5 patents. 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-7608564-B2 3-heterocyclyl-substituted benzoyl derivatives BASF AKTIENGESELLSCHAFT (DE) 2009-10-27 US 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
US-20020025910-A1 3-heterocycly1 - substituted benzoyl derivatives DEYN WOLFGANG VON (DE) 2002-02-28 US 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-20020025910-A1 3-heterocycly1 - substituted benzoyl derivatives CBR3, CBR1, RRS1 KDM4E 2275/4885MITF 4219/4885MAPT 4860/4885
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 KDM4E 1856/4885MITF 4748/4885MAPT 4606/4885

“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.