SCHEMBL4274890

SCHEMBL4274890

COC(=O)c1ccc(S(C)(=O)=O)c(C2=NCCO2)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
ABL1 P00519 1/20 0.32
EDNRA P25101 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 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
SCHEMBL4269505 0.77 SMN1; SMN2 (0.33) VCAM1KDM4ESMN1; SMN2HSD17B10CA1
SCHEMBL4273633 0.76 VCAM1 (0.32) VCAM1KDM4ESMN1; SMN2HSD17B10CA1
SCHEMBL8175098 0.74 GAA (0.42) VCAM1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL7946301 0.74 ACLY (0.44) KMT2AKDM4ESMN1; SMN2HSD17B10CA1
SCHEMBL8164153 0.73 EDNRA (0.41) VCAM1KMT2AKDM4EEDNRACYP3A4
SCHEMBL8146809 0.73 CYP3A4 (0.36) VCAM1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8598024 0.73 CFTR (0.40) VCAM1KDM4ESMN1; SMN2HSD17B10CA1
SCHEMBL4267446 0.73 HTT (0.34) VCAM1KMT2ASMN1; SMN2MAPTHPGD
SCHEMBL27561142 0.72 RAB9A (0.36) VCAM1KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8135182 0.72 MEN1 (0.41) KMT2AKDM4ESMN1; SMN2EDNRAMAPT

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-20020025910-A1 3-heterocycly1 - substituted benzoyl derivatives DEYN WOLFGANG VON (DE) 2002-02-28 US claimed
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 VCAM1 4330/4885KMT2A 3254/4885ADRA2A 2155/4885
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 VCAM1 4865/4885KMT2A 1773/4885ADRA2A 1482/4885

“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.