SCHEMBL4036668

SCHEMBL4036668

CS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1/C=N\O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TSHR P16473 3/20 0.35
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATM Q13315 1/20 0.33
ACLY P53396 1/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
BCAT2 O15382 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32

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
SCHEMBL4271639 1.00 LMNA (0.40) LMNATSHRKMT2ACYP1A2CYP3A4
SCHEMBL4276213 0.84 VCAM1 (0.37) TSHRKMT2AMAPTHPGDHTT
SCHEMBL4267417 0.84 VCAM1 (0.37) TSHRKMT2AMAPTHPGDHTT
SCHEMBL7077665 0.83 LMNA (0.42) LMNATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL7168941 0.81 ALDH1A1 (0.36) LMNATSHRKMT2ACYP1A2CYP3A4
SCHEMBL7081782 0.81 ALDH1A1 (0.36) LMNATSHRKMT2ACYP1A2CYP3A4
SCHEMBL7807426 0.79 LMNA (0.47) LMNATSHRKMT2ACYP1A2CYP3A4
SCHEMBL27489695 0.78 MAPK1 (0.34) LMNATSHRKMT2AACLYHTT
SCHEMBL16164214 0.77 LMNA (0.32) LMNATSHRMAPK1
SCHEMBL7654545 0.77 PTPN1 (0.41) LMNATSHRKMT2ACYP1A2CYP3A4

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 7 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
EP-0958291-B1 3-HETEROCYCLYL-SUBSTITUTED BENZOYL DERIVATIVES BASF SE (DE) 2009-01-21 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
EP-0958292-B1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AG (DE) 2007-01-03 EP 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 LMNA 2783/4885TSHR 1631/4885KMT2A 3254/4885
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 LMNA 2941/4885TSHR 138/4885KMT2A 1773/4885

“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.