SCHEMBL4267446

SCHEMBL4267446

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.34
MIF P14174 3/20 0.34
TSHR P16473 2/20 0.34
MAPK10 P53779 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
VCAM1 P19320 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
MEN1 O00255 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 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
SCHEMBL4033093 0.87 LMNA (0.33) LMNASMN1; SMN2
SCHEMBL4032623 0.87 HTT (0.32) HTTLMNASMN1; SMN2
SCHEMBL7495310 0.82 PPARG (0.41)
SCHEMBL4269505 0.80 SMN1; SMN2 (0.33) MAPTVCAM1SMN1; SMN2
SCHEMBL4273633 0.79 VCAM1 (0.32) MAPTVCAM1SMN1; SMN2
SCHEMBL5210036 0.78 LMNA (0.31) TSHRLMNA
SCHEMBL4267422 0.76 KDM4E (0.32) MAPTVCAM1SMN1; SMN2
SCHEMBL5836196 0.74 SMN1; SMN2 (0.33) TSHRMAPK10KMT2AMAPK1NPSR1
SCHEMBL6750959 0.74 BACE1 (0.31)
SCHEMBL4274890 0.73 VCAM1 (0.33) TSHRKMT2AHPGDMAPTVCAM1

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 6 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
US-6165944-A 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 2000-12-26 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 HTT 2448/4885MIF 4855/4885TSHR 1631/4885
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 HTT 2211/4885MIF 4841/4885TSHR 138/4885

“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.